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INCB38579

CAT: 0013-GTR19186141-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186141-01Size:25 mg
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Description
INCB38579
CAS Number
1246207-65-7
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
CN1CCN (CC1) c1cc (nc (N) n1) -c1ccc2CCN (Cc2c1) C (=O) CC1CCCC1
Molecular Formula
C25H34N6O
Molecular Weight
434.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclopentylethanone
CAS Number1246207-65-7
PubChem CID59496762
IUPAC Name1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclopentylethanone
Molecular FormulaC25H34N6O
Molecular Weight434.6
XLogP3.2
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity632
SMILES
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC4=C(CCN(C4)C(=O)CC5CCCC5)C=C3)N
InChI
InChI=1S/C25H34N6O/c1-29-10-12-30(13-11-29)23-16-22(27-25(26)28-23)20-7-6-19-8-9-31(17-21(19)15-20)24(32)14-18-4-2-3-5-18/h6-7,15-16,18H,2-5,8-14,17H2,1H3,(H2,26,27,28)
InChIKey
LZOCXAJJOQPLKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclopentylethanone
CAS: 1246207-65-7
CID: 59496762
Formula: C25H34N6O
MW: 434.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass434.27940973
Monoisotopic Mass434.27940973
Topological Polar Surface Area78.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity632
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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CatalogName
HY-101188-01INCB38579

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