1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide

C25H31N5O — CID 175327408

IUPAC1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCCCC2)c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C25H31N5O/c26-25(31)24-22-14-19(9-10-23(22)30(28-24)21-7-3-1-4-8-21)20-13-18(15-27-16-20)17-29-11-5-2-6-12-29/h9-10,13-16,21H,1-8,11-12,17H2,(H2,26,31)
InChIKeyCOAZUDOLRCHXJP-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.69
Rot. Bonds5

About 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide

1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 175327408) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID175327408
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCCCC2)c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C25H31N5O/c26-25(31)24-22-14-19(9-10-23(22)30(28-24)21-7-3-1-4-8-21)20-13-18(15-27-16-20)17-29-11-5-2-6-12-29/h9-10,13-16,21H,1-8,11-12,17H2,(H2,26,31)
InChIKeyCOAZUDOLRCHXJP-UHFFFAOYSA-N
XLogP4.69
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
CID 118383862
1-cyclobutyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]indazole-3-carboxamide
CID 174835336
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
CID 123910750
1-cyclopropyl-5-(2-methylpyrimidin-5-yl)indazole-3-carboxamide
CID 162459699
1-benzyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]indazole-3-carboxamide
CID 150574501
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]indazole-3-carboxylic acid
CID 175285285
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]indazole-3-carboxylic acid
CID 174835308
N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381544

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide (CID 175327408) is 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide is NC(=O)c1nn(C2CCCCC2)c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is COAZUDOLRCHXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c26-25(31)24-22-14-19(9-10-23(22)30(28-24)21-7-3-1-4-8-21)20-13-18(15-27-16-20)17-29-11-5-2-6-12-29/h9-10,13-16,21H,1-8,11-12,17H2,(H2,26,31).
What are the key properties of 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 175327408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).