1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile

C22H22F3N3 — CID 141298553

IUPAC1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile
SMILESN#Cc1c(C2=CC=CCN2C(CF)CF)n(C2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C22H22F3N3/c23-12-17(13-24)27-10-4-3-7-21(27)22-19(14-26)18-11-15(25)8-9-20(18)28(22)16-5-1-2-6-16/h3-4,7-9,11,16-17H,1-2,5-6,10,12-13H2
InChIKeyLOUAPELFWXXYFQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.29
Rot. Bonds5

About 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile (PubChem CID 141298553) has the molecular formula C22H22F3N3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile
PubChem CID141298553
Molecular FormulaC22H22F3N3
Molecular Weight385.43 g/mol
Exact Mass385.18
IUPAC Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile
SMILESN#Cc1c(C2=CC=CCN2C(CF)CF)n(C2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C22H22F3N3/c23-12-17(13-24)27-10-4-3-7-21(27)22-19(14-26)18-11-15(25)8-9-20(18)28(22)16-5-1-2-6-16/h3-4,7-9,11,16-17H,1-2,5-6,10,12-13H2
InChIKeyLOUAPELFWXXYFQ-UHFFFAOYSA-N
XLogP5.29
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile
CID 141298582
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-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
CID 141298745
6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile
CID 141298744
1-cyclopentyl-6-methyl-2-[1-[1-(trifluoromethyl)cyclopropyl]-2H-pyridin-6-yl]indole-3-carbonitrile
CID 141298713
1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
CID 141298631
6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181560
2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66733432
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methylindole-3-carbonitrile
CID 141298601
1-cyclobutyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 143511080
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methoxyindole-3-carbonitrile
CID 141298540
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methylindole-3-carbonitrile
CID 141298648

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile (CID 141298553) is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile is N#Cc1c(C2=CC=CCN2C(CF)CF)n(C2CCCC2)c2ccc(F)cc12.
What is the InChIKey of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile?
The InChIKey is LOUAPELFWXXYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3/c23-12-17(13-24)27-10-4-3-7-21(27)22-19(14-26)18-11-15(25)8-9-20(18)28(22)16-5-1-2-6-16/h3-4,7-9,11,16-17H,1-2,5-6,10,12-13H2.
What are the key properties of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile?
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile has a molecular weight of 385.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile is sourced from PubChem (CID 141298553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).