N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C27H26F2N4O2 — CID 57410535

IUPACN-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(O)(C(F)(F)c5ccccc5)C4)cc23)ccn1
InChIInChI=1S/C27H26F2N4O2/c1-17-14-18(11-13-30-17)24-22-15-19(9-10-23(22)32-33-24)25(34)31-21-8-5-12-26(35,16-21)27(28,29)20-6-3-2-4-7-20/h2-4,6-7,9-11,13-15,21,35H,5,8,12,16H2,1H3,(H,31,34)(H,32,33)
InChIKeyWPLNYRKWDOQPCW-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.13
Rot. Bonds5

About N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 57410535) has the molecular formula C27H26F2N4O2 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID57410535
Molecular FormulaC27H26F2N4O2
Molecular Weight476.53 g/mol
Exact Mass476.20
IUPAC NameN-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(O)(C(F)(F)c5ccccc5)C4)cc23)ccn1
InChIInChI=1S/C27H26F2N4O2/c1-17-14-18(11-13-30-17)24-22-15-19(9-10-23(22)32-33-24)25(34)31-21-8-5-12-26(35,16-21)27(28,29)20-6-3-2-4-7-20/h2-4,6-7,9-11,13-15,21,35H,5,8,12,16H2,1H3,(H,31,34)(H,32,33)
InChIKeyWPLNYRKWDOQPCW-UHFFFAOYSA-N
XLogP5.13
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 86282552
N-[(1S,3S)-3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57411730
N-[(1R,3R)-3-hydroxy-3-(imidazo[4,5-b]pyridin-3-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57411032
N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 67985835
N-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 163429179
3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
CID 123190930
N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652202
N-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123840975
2-[3-[(2-fluorophenyl)methyl]-3-methoxycyclohexyl]-1-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone
CID 161183755
3-(1,3-benzothiazol-6-yl)-N-[3-[(2-fluorophenyl)methyl]-3-hydroxycyclohexyl]-1H-indazole-5-carboxamide
CID 67985185
N-[(3R,6S)-6-[cyclopropyl(methyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591316
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652868

Frequently Asked Questions

What is the IUPAC name of N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 57410535) is N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(O)(C(F)(F)c5ccccc5)C4)cc23)ccn1.
What is the InChIKey of N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is WPLNYRKWDOQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2/c1-17-14-18(11-13-30-17)24-22-15-19(9-10-23(22)32-33-24)25(34)31-21-8-5-12-26(35,16-21)27(28,29)20-6-3-2-4-7-20/h2-4,6-7,9-11,13-15,21,35H,5,8,12,16H2,1H3,(H,31,34)(H,32,33).
What are the key properties of N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 57410535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).