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

C24H17N7O — CID 71259773

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cccnc5)ccc34)cn2)c1
InChIInChI=1S/C24H17N7O/c25-11-16-3-1-4-17(9-16)14-31-15-20(13-27-31)28-24(32)23-21-7-6-18(10-22(21)29-30-23)19-5-2-8-26-12-19/h1-10,12-13,15H,14H2,(H,28,32)(H,29,30)
InChIKeyKKJYBZTTZKQABH-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.99
Rot. Bonds5

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

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 71259773) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID71259773
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cccnc5)ccc34)cn2)c1
InChIInChI=1S/C24H17N7O/c25-11-16-3-1-4-17(9-16)14-31-15-20(13-27-31)28-24(32)23-21-7-6-18(10-22(21)29-30-23)19-5-2-8-26-12-19/h1-10,12-13,15H,14H2,(H,28,32)(H,29,30)
InChIKeyKKJYBZTTZKQABH-UHFFFAOYSA-N
XLogP3.99
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide (CID 71259773) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cccnc5)ccc34)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is KKJYBZTTZKQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c25-11-16-3-1-4-17(9-16)14-31-15-20(13-27-31)28-24(32)23-21-7-6-18(10-22(21)29-30-23)19-5-2-8-26-12-19/h1-10,12-13,15H,14H2,(H,28,32)(H,29,30).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).