1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile

C23H25FN4 — CID 141298631

IUPAC1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
SMILESC[C@@H](C1CC1)N1C=CC=NC1c1c(C#N)c2cc(F)ccc2n1C1CCCC1
InChIInChI=1S/C23H25FN4/c1-15(16-7-8-16)27-12-4-11-26-23(27)22-20(14-25)19-13-17(24)9-10-21(19)28(22)18-5-2-3-6-18/h4,9-13,15-16,18,23H,2-3,5-8H2,1H3/t15-,23?/m0/s1
InChIKeyAYGKDTCDZAHOMH-NGMICRHFSA-N
MW376.48 g/mol
LogP5.46
Rot. Bonds4

About 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile

1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile (PubChem CID 141298631) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
PubChem CID141298631
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
SMILESC[C@@H](C1CC1)N1C=CC=NC1c1c(C#N)c2cc(F)ccc2n1C1CCCC1
InChIInChI=1S/C23H25FN4/c1-15(16-7-8-16)27-12-4-11-26-23(27)22-20(14-25)19-13-17(24)9-10-21(19)28(22)18-5-2-3-6-18/h4,9-13,15-16,18,23H,2-3,5-8H2,1H3/t15-,23?/m0/s1
InChIKeyAYGKDTCDZAHOMH-NGMICRHFSA-N
XLogP5.46
TPSA44.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.46
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-fluoroindole-3-carbonitrile
CID 141298745
1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
CID 141298703
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-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
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methoxyindole-3-carbonitrile
CID 141298540
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
CID 141298512
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-(cyclopropylmethyl)-5-methyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 161178884
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-5-fluoroindole-3-carbonitrile
CID 141298553
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-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile (CID 141298631) is 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile is C[C@@H](C1CC1)N1C=CC=NC1c1c(C#N)c2cc(F)ccc2n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile?
The InChIKey is AYGKDTCDZAHOMH-NGMICRHFSA-N. The full InChI is InChI=1S/C23H25FN4/c1-15(16-7-8-16)27-12-4-11-26-23(27)22-20(14-25)19-13-17(24)9-10-21(19)28(22)18-5-2-3-6-18/h4,9-13,15-16,18,23H,2-3,5-8H2,1H3/t15-,23?/m0/s1.
What are the key properties of 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile?
1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile has a molecular weight of 376.48 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile is sourced from PubChem (CID 141298631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).