N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C23H18N8O — CID 123936431

IUPACN-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1cc(C#N)cc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1
InChIInChI=1S/C23H18N8O/c1-14-4-15(8-24)6-16(5-14)12-31-13-19(11-27-31)28-23(32)22-20-3-2-17(7-21(20)29-30-22)18-9-25-26-10-18/h2-7,9-11,13H,12H2,1H3,(H,25,26)(H,28,32)(H,29,30)
InChIKeyFFEMDBLDGCQBSS-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.63
Rot. Bonds5

About N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 123936431) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID123936431
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC NameN-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1cc(C#N)cc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1
InChIInChI=1S/C23H18N8O/c1-14-4-15(8-24)6-16(5-14)12-31-13-19(11-27-31)28-23(32)22-20-3-2-17(7-21(20)29-30-22)18-9-25-26-10-18/h2-7,9-11,13H,12H2,1H3,(H,25,26)(H,28,32)(H,29,30)
InChIKeyFFEMDBLDGCQBSS-UHFFFAOYSA-N
XLogP3.63
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267344
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328
6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267356
N-[1-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 144529909
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267375
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
6-(1H-pyrazol-5-yl)-N-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267284
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
CID 89412129
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 89412133
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 152937093

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 123936431) is N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is Cc1cc(C#N)cc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1.
What is the InChIKey of N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is FFEMDBLDGCQBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c1-14-4-15(8-24)6-16(5-14)12-31-13-19(11-27-31)28-23(32)22-20-3-2-17(7-21(20)29-30-22)18-9-25-26-10-18/h2-7,9-11,13H,12H2,1H3,(H,25,26)(H,28,32)(H,29,30).
What are the key properties of N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 123936431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).