1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid

C20H17ClF4N4O2 — CID 118649365

IUPAC1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid
SMILESCc1nn(C2CCN(c3ccc(Cl)c(C(F)(F)F)n3)CC2)c2cc(F)c(C(=O)O)cc12
InChIInChI=1S/C20H17ClF4N4O2/c1-10-12-8-13(19(30)31)15(22)9-16(12)29(27-10)11-4-6-28(7-5-11)17-3-2-14(21)18(26-17)20(23,24)25/h2-3,8-9,11H,4-7H2,1H3,(H,30,31)
InChIKeyAZSMTLMJCJRKGM-UHFFFAOYSA-N
MW456.83 g/mol
LogP5.09
Rot. Bonds3

About 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid

1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid (PubChem CID 118649365) has the molecular formula C20H17ClF4N4O2 and a molecular weight of 456.83 g/mol. Its IUPAC name is 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid
PubChem CID118649365
Molecular FormulaC20H17ClF4N4O2
Molecular Weight456.83 g/mol
Exact Mass456.10
IUPAC Name1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid
SMILESCc1nn(C2CCN(c3ccc(Cl)c(C(F)(F)F)n3)CC2)c2cc(F)c(C(=O)O)cc12
InChIInChI=1S/C20H17ClF4N4O2/c1-10-12-8-13(19(30)31)15(22)9-16(12)29(27-10)11-4-6-28(7-5-11)17-3-2-14(21)18(26-17)20(23,24)25/h2-3,8-9,11H,4-7H2,1H3,(H,30,31)
InChIKeyAZSMTLMJCJRKGM-UHFFFAOYSA-N
XLogP5.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid with MolForge

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Related Compounds

methyl 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylate
CID 129166201
1-[(3R)-1-(3,5-dichlorobenzoyl)pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxylic acid
CID 129166125
6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine
CID 166713019
6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide
CID 129177714
1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 69070167
N-cyclopropylsulfonyl-1-[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 135389987
(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-1-[1-[1-(5-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]-6-fluoro-3-methylindazole-5-carbonyl]pyrrolidine-2-carboxylic acid;(2S)-1-[5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-1-[5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)-phenylmethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid
CID 158829993
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 129197373
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
2-chloro-N-methyl-6-[4-[[1-[3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 137355540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid?
The IUPAC name of 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid (CID 118649365) is 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid.
What is the SMILES notation for 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid?
The canonical SMILES for 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid is Cc1nn(C2CCN(c3ccc(Cl)c(C(F)(F)F)n3)CC2)c2cc(F)c(C(=O)O)cc12.
What is the InChIKey of 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid?
The InChIKey is AZSMTLMJCJRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF4N4O2/c1-10-12-8-13(19(30)31)15(22)9-16(12)29(27-10)11-4-6-28(7-5-11)17-3-2-14(21)18(26-17)20(23,24)25/h2-3,8-9,11H,4-7H2,1H3,(H,30,31).
What are the key properties of 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid?
1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid has a molecular weight of 456.83 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid is sourced from PubChem (CID 118649365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).