1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile

C24H24F3N3 — CID 141298713

IUPAC1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(C3=CC=CCN3C3(C(F)(F)F)CC3)n(C3CCCC3)c2c1
InChIInChI=1S/C24H24F3N3/c1-16-9-10-18-19(15-28)22(30(21(18)14-16)17-6-2-3-7-17)20-8-4-5-13-29(20)23(11-12-23)24(25,26)27/h4-5,8-10,14,17H,2-3,6-7,11-13H2,1H3
InChIKeyOQBWAGUPDKJIFQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.24
Rot. Bonds3

About 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile

1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile (PubChem CID 141298713) has the molecular formula C24H24F3N3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile
PubChem CID141298713
Molecular FormulaC24H24F3N3
Molecular Weight411.47 g/mol
Exact Mass411.19
IUPAC Name1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(C3=CC=CCN3C3(C(F)(F)F)CC3)n(C3CCCC3)c2c1
InChIInChI=1S/C24H24F3N3/c1-16-9-10-18-19(15-28)22(30(21(18)14-16)17-6-2-3-7-17)20-8-4-5-13-29(20)23(11-12-23)24(25,26)27/h4-5,8-10,14,17H,2-3,6-7,11-13H2,1H3
InChIKeyOQBWAGUPDKJIFQ-UHFFFAOYSA-N
XLogP6.24
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile
CID 141298504
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile
CID 141298582
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile
CID 141298553
1-cyclohexyl-6-methyl-2-[5-[(2R)-3,3,3-trifluoro-2-methylpropyl]sulfonyl-2-pyridinyl]indole-3-carbonitrile
CID 70369679
6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
CID 46940782
6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 159502175
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
CID 141298512
2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
CID 66798548
1-cyclobutyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 143511080
1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
CID 141298703
6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66733523
2-(6-chloro-3-cyano-1-cyclohexylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 77181502

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile (CID 141298713) is 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile is Cc1ccc2c(C#N)c(C3=CC=CCN3C3(C(F)(F)F)CC3)n(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile?
The InChIKey is OQBWAGUPDKJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3/c1-16-9-10-18-19(15-28)22(30(21(18)14-16)17-6-2-3-7-17)20-8-4-5-13-29(20)23(11-12-23)24(25,26)27/h4-5,8-10,14,17H,2-3,6-7,11-13H2,1H3.
What are the key properties of 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile?
1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile is sourced from PubChem (CID 141298713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).