N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide

C25H23N9O2 — CID 171706048

IUPACN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide
SMILESO=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C25H23N9O2/c35-24(16-9-10-17-14-27-29-19(17)12-16)28-22-13-20(30-31-22)21-8-4-5-11-33(21)25(36)23-26-15-34(32-23)18-6-2-1-3-7-18/h1-3,6-7,9-10,12-15,21H,4-5,8,11H2,(H,27,29)(H2,28,30,31,35)
InChIKeyWHOJRDINKREZLY-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.49
Rot. Bonds5

About N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide (PubChem CID 171706048) has the molecular formula C25H23N9O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide
PubChem CID171706048
Molecular FormulaC25H23N9O2
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC NameN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide
SMILESO=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C25H23N9O2/c35-24(16-9-10-17-14-27-29-19(17)12-16)28-22-13-20(30-31-22)21-8-4-5-11-33(21)25(36)23-26-15-34(32-23)18-6-2-1-3-7-18/h1-3,6-7,9-10,12-15,21H,4-5,8,11H2,(H,27,29)(H2,28,30,31,35)
InChIKeyWHOJRDINKREZLY-UHFFFAOYSA-N
XLogP3.49
TPSA137.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
N-(6-oxo-1H-pyridazin-3-yl)-1H-indazole-6-carboxamide
CID 116787487
3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043468
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
CID 166721441
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-(1-benzamidopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 137456634
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
2-methyl-3-oxo-N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4H-1,4-benzoxazine-6-carboxamide
CID 171684066

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide (CID 171706048) is N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide is O=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide?
The InChIKey is WHOJRDINKREZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O2/c35-24(16-9-10-17-14-27-29-19(17)12-16)28-22-13-20(30-31-22)21-8-4-5-11-33(21)25(36)23-26-15-34(32-23)18-6-2-1-3-7-18/h1-3,6-7,9-10,12-15,21H,4-5,8,11H2,(H,27,29)(H2,28,30,31,35).
What are the key properties of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide?
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 171706048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).