6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C24H18N8O — CID 71259500

IUPAC6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccc(N)nc5)ccc34)cn2)c1
InChIInChI=1S/C24H18N8O/c25-10-15-2-1-3-16(8-15)13-32-14-19(12-28-32)29-24(33)23-20-6-4-17(9-21(20)30-31-23)18-5-7-22(26)27-11-18/h1-9,11-12,14H,13H2,(H2,26,27)(H,29,33)(H,30,31)
InChIKeyJMJPRIIHDAJRQU-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.58
Rot. Bonds5

About 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71259500) has the molecular formula C24H18N8O and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71259500
Molecular FormulaC24H18N8O
Molecular Weight434.46 g/mol
Exact Mass434.16
IUPAC Name6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccc(N)nc5)ccc34)cn2)c1
InChIInChI=1S/C24H18N8O/c25-10-15-2-1-3-16(8-15)13-32-14-19(12-28-32)29-24(33)23-20-6-4-17(9-21(20)30-31-23)18-5-7-22(26)27-11-18/h1-9,11-12,14H,13H2,(H2,26,27)(H,29,33)(H,30,31)
InChIKeyJMJPRIIHDAJRQU-UHFFFAOYSA-N
XLogP3.58
TPSA138.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 152937093
3-[[4-[2-oxo-2-(6-pyridin-3-yl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 158185027
3-[[4-[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 162127179
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
CID 89412129
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
CID 89412134
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 159252837
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 89412133

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71259500) is 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccc(N)nc5)ccc34)cn2)c1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is JMJPRIIHDAJRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8O/c25-10-15-2-1-3-16(8-15)13-32-14-19(12-28-32)29-24(33)23-20-6-4-17(9-21(20)30-31-23)18-5-7-22(26)27-11-18/h1-9,11-12,14H,13H2,(H2,26,27)(H,29,33)(H,30,31).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).