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HJB97

CAT: 0926-TID39124-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-TID39124-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2093391-24-1
Smiles
CCN1C (=CC (=N1) C2CC2) NC3=NC (=NC4=C3C5=CC (=C (C=C5N4) C6=C (ON=C6C) C) OC) C (=O) NC
Molecular Formula
C26H28N8O3
Molecular Weight
500.6 g/mol
Controlled
No

Chemical Information

4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide
CAS Number2093391-24-1
PubChem CID135397673
IUPAC Name4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide
Molecular FormulaC26H28N8O3
Molecular Weight500.6
XLogP3.9
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity832
SMILES
CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NC
InChI
InChI=1S/C26H28N8O3/c1-6-34-20(11-17(32-34)14-7-8-14)29-24-22-15-10-19(36-5)16(21-12(2)33-37-13(21)3)9-18(15)28-23(22)30-25(31-24)26(35)27-4/h9-11,14H,6-8H2,1-5H3,(H,27,35)(H2,28,29,30,31)
InChIKey
JNYHQYRTYFSMSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide
CAS: 2093391-24-1
CID: 135397673
Formula: C26H28N8O3
MW: 500.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass500.22843678
Monoisotopic Mass500.22843678
Topological Polar Surface Area136 Ų
Heavy Atom Count37
Formal Charge0
Complexity832
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
T15484-01HJB97

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