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

C24H17N7O — CID 71259506

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccncc5)ccc34)cn2)c1
InChIInChI=1S/C24H17N7O/c25-12-16-2-1-3-17(10-16)14-31-15-20(13-27-31)28-24(32)23-21-5-4-19(11-22(21)29-30-23)18-6-8-26-9-7-18/h1-11,13,15H,14H2,(H,28,32)(H,29,30)
InChIKeyFWJSUBYSLFJCHW-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.99
Rot. Bonds5

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

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide (PubChem CID 71259506) 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-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide
PubChem CID71259506
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccncc5)ccc34)cn2)c1
InChIInChI=1S/C24H17N7O/c25-12-16-2-1-3-17(10-16)14-31-15-20(13-27-31)28-24(32)23-21-5-4-19(11-22(21)29-30-23)18-6-8-26-9-7-18/h1-11,13,15H,14H2,(H,28,32)(H,29,30)
InChIKeyFWJSUBYSLFJCHW-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide (CID 71259506) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccncc5)ccc34)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is FWJSUBYSLFJCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c25-12-16-2-1-3-17(10-16)14-31-15-20(13-27-31)28-24(32)23-21-5-4-19(11-22(21)29-30-23)18-6-8-26-9-7-18/h1-11,13,15H,14H2,(H,28,32)(H,29,30).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-yl-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-4-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-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).