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HG-14-10-04

CAT: 1568-C11963Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1568-C11963Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356962-34-9
SKU
C11963-2mg
Target
ALK
Applications
Protein Tyrosine Kinase
Smiles
CN1CCN (CC1) C2CCN (CC2) C3=CC (=C (C=C3) NC4=NC=C (C (=N4) C5=CNC6=CC=CC=C65) Cl) OC
Molecular Formula
C29H34ClN7O
Additionnal Information
HG-14-10-04 is an inhibitor of ALK.
Storage Conditions
3 years -20°C powder

Chemical Information

5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidin-2-amine

5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2-pyrimidinamine is a member of piperidines.

CAS Number1356962-34-9
PubChem CID56655374
IUPAC Name5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
Molecular FormulaC29H34ClN7O
Molecular Weight532.1
XLogP5
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity746
SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)C5=CNC6=CC=CC=C65)Cl)OC
InChI
InChI=1S/C29H34ClN7O/c1-35-13-15-37(16-14-35)20-9-11-36(12-10-20)21-7-8-26(27(17-21)38-2)33-29-32-19-24(30)28(34-29)23-18-31-25-6-4-3-5-22(23)25/h3-8,17-20,31H,9-16H2,1-2H3,(H,32,33,34)
InChIKey
HRYNCLKDKCPYBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidin-2-amine
CAS: 1356962-34-9
CID: 56655374
Formula: C29H34ClN7O
MW: 532.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.1
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass531.2513364
Monoisotopic Mass531.2513364
Topological Polar Surface Area72.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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