6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile

C25H24ClF3N6O — CID 134264086

IUPAC6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILESCc1nc2ccc(Cl)cc2c(N2CC[C@H](C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)[C@H](C)C2)c1C#N
InChIInChI=1S/C25H24ClF3N6O/c1-13-11-34(22-17-9-15(26)3-4-20(17)31-14(2)18(22)10-30)7-5-16(13)24(36)35-8-6-21-19(12-35)23(33-32-21)25(27,28)29/h3-4,9,13,16H,5-8,11-12H2,1-2H3,(H,32,33)/t13-,16+/m1/s1
InChIKeyZBWUYPMSNADBNZ-CJNGLKHVSA-N
MW516.96 g/mol
LogP4.86
Rot. Bonds2

About 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile

6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 134264086) has the molecular formula C25H24ClF3N6O and a molecular weight of 516.96 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID134264086
Molecular FormulaC25H24ClF3N6O
Molecular Weight516.96 g/mol
Exact Mass516.17
IUPAC Name6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILESCc1nc2ccc(Cl)cc2c(N2CC[C@H](C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)[C@H](C)C2)c1C#N
InChIInChI=1S/C25H24ClF3N6O/c1-13-11-34(22-17-9-15(26)3-4-20(17)31-14(2)18(22)10-30)7-5-16(13)24(36)35-8-6-21-19(12-35)23(33-32-21)25(27,28)29/h3-4,9,13,16H,5-8,11-12H2,1-2H3,(H,32,33)/t13-,16+/m1/s1
InChIKeyZBWUYPMSNADBNZ-CJNGLKHVSA-N
XLogP4.86
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.96
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile with MolForge

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Related Compounds

6-chloro-4-[(3S,4S)-4-(6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile
CID 134264353
6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile
CID 134275679
6-chloro-4-[(3S,4R)-3-methoxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile;6-chloro-4-[(3S,4S)-3-methoxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 158046621
2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264241
[1-(6-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-imino-4-(2,2,2-trifluoroethanimidoyl)piperazin-1-yl]methanone
CID 166813270
6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 135272134
6,8-difluoro-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264205
(5-chlorofuran-2-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 154833056
7-(cyclopropylmethoxy)-4-[3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264834
7-(2,2-difluoroethoxy)-4-[3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 166815112
7-(cyclopropylmethoxy)-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134275671
[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
CID 166815149

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile (CID 134264086) is 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile is Cc1nc2ccc(Cl)cc2c(N2CC[C@H](C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)[C@H](C)C2)c1C#N.
What is the InChIKey of 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is ZBWUYPMSNADBNZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C25H24ClF3N6O/c1-13-11-34(22-17-9-15(26)3-4-20(17)31-14(2)18(22)10-30)7-5-16(13)24(36)35-8-6-21-19(12-35)23(33-32-21)25(27,28)29/h3-4,9,13,16H,5-8,11-12H2,1-2H3,(H,32,33)/t13-,16+/m1/s1.
What are the key properties of 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 516.96 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 134264086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).