1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile

C22H24F2N4 — CID 141298512

IUPAC1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(C3N=CC=CN3C(CF)CF)n(C3CCCC3)c2c1
InChIInChI=1S/C22H24F2N4/c1-15-7-8-18-19(14-25)21(28(20(18)11-15)16-5-2-3-6-16)22-26-9-4-10-27(22)17(12-23)13-24/h4,7-11,16-17,22H,2-3,5-6,12-13H2,1H3
InChIKeyOJMULWDVSHVAFJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.14
Rot. Bonds5

About 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile (PubChem CID 141298512) has the molecular formula C22H24F2N4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
PubChem CID141298512
Molecular FormulaC22H24F2N4
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(C3N=CC=CN3C(CF)CF)n(C3CCCC3)c2c1
InChIInChI=1S/C22H24F2N4/c1-15-7-8-18-19(14-25)21(28(20(18)11-15)16-5-2-3-6-16)22-26-9-4-10-27(22)17(12-23)13-24/h4,7-11,16-17,22H,2-3,5-6,12-13H2,1H3
InChIKeyOJMULWDVSHVAFJ-UHFFFAOYSA-N
XLogP5.14
TPSA44.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methylindole-3-carbonitrile
CID 141298601
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methylindole-3-carbonitrile
CID 141298648
6-chloro-1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 141298506
6-chloro-1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 141298716
1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
CID 141298703
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
CID 141298745
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methoxyindole-3-carbonitrile
CID 141298540
1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3,5-dicarbonitrile
CID 141298763
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile
CID 66798234
1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
CID 141298631
1-(cyclopropylmethyl)-5-methyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 161178884
6-chloro-1-(cyclopropylmethyl)-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 158214745

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile (CID 141298512) is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile is Cc1ccc2c(C#N)c(C3N=CC=CN3C(CF)CF)n(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
The InChIKey is OJMULWDVSHVAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4/c1-15-7-8-18-19(14-25)21(28(20(18)11-15)16-5-2-3-6-16)22-26-9-4-10-27(22)17(12-23)13-24/h4,7-11,16-17,22H,2-3,5-6,12-13H2,1H3.
What are the key properties of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile has a molecular weight of 382.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile is sourced from PubChem (CID 141298512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).