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

C24H27F2N3 — CID 141298582

IUPAC1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile
SMILESCCc1ccc2c(C#N)c(C3=CC=CCN3C(CF)CF)n(C3CCCC3)c2c1
InChIInChI=1S/C24H27F2N3/c1-2-17-10-11-20-21(16-27)24(29(23(20)13-17)18-7-3-4-8-18)22-9-5-6-12-28(22)19(14-25)15-26/h5-6,9-11,13,18-19H,2-4,7-8,12,14-15H2,1H3
InChIKeyBAZFWGJTIPTPEX-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.71
Rot. Bonds6

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

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile (PubChem CID 141298582) has the molecular formula C24H27F2N3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile
PubChem CID141298582
Molecular FormulaC24H27F2N3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile
SMILESCCc1ccc2c(C#N)c(C3=CC=CCN3C(CF)CF)n(C3CCCC3)c2c1
InChIInChI=1S/C24H27F2N3/c1-2-17-10-11-20-21(16-27)24(29(23(20)13-17)18-7-3-4-8-18)22-9-5-6-12-28(22)19(14-25)15-26/h5-6,9-11,13,18-19H,2-4,7-8,12,14-15H2,1H3
InChIKeyBAZFWGJTIPTPEX-UHFFFAOYSA-N
XLogP5.71
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile (CID 141298582) is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile is CCc1ccc2c(C#N)c(C3=CC=CCN3C(CF)CF)n(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile?
The InChIKey is BAZFWGJTIPTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3/c1-2-17-10-11-20-21(16-27)24(29(23(20)13-17)18-7-3-4-8-18)22-9-5-6-12-28(22)19(14-25)15-26/h5-6,9-11,13,18-19H,2-4,7-8,12,14-15H2,1H3.
What are the key properties of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile?
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-6-ethylindole-3-carbonitrile has a molecular weight of 395.50 g/mol, XLogP of 5.71, 6 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]-6-ethylindole-3-carbonitrile is sourced from PubChem (CID 141298582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).