1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile

C23H22F2N4 — CID 66798234

IUPAC1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(C#N)c(C3C=CC=CN3C(CF)CF)n(C3CCCC3)c2c1
InChIInChI=1S/C23H22F2N4/c24-12-18(13-25)28-10-4-3-7-21(28)23-20(15-27)19-9-8-16(14-26)11-22(19)29(23)17-5-1-2-6-17/h3-4,7-11,17-18,21H,1-2,5-6,12-13H2
InChIKeyQCPDDDXYBIRDMR-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.23
Rot. Bonds5

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

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile (PubChem CID 66798234) has the molecular formula C23H22F2N4 and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile
PubChem CID66798234
Molecular FormulaC23H22F2N4
Molecular Weight392.45 g/mol
Exact Mass392.18
IUPAC Name1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(C#N)c(C3C=CC=CN3C(CF)CF)n(C3CCCC3)c2c1
InChIInChI=1S/C23H22F2N4/c24-12-18(13-25)28-10-4-3-7-21(28)23-20(15-27)19-9-8-16(14-26)11-22(19)29(23)17-5-1-2-6-17/h3-4,7-11,17-18,21H,1-2,5-6,12-13H2
InChIKeyQCPDDDXYBIRDMR-UHFFFAOYSA-N
XLogP5.23
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile?
The IUPAC name of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile (CID 66798234) is 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile?
The canonical SMILES for 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile is N#Cc1ccc2c(C#N)c(C3C=CC=CN3C(CF)CF)n(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile?
The InChIKey is QCPDDDXYBIRDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4/c24-12-18(13-25)28-10-4-3-7-21(28)23-20(15-27)19-9-8-16(14-26)11-22(19)29(23)17-5-1-2-6-17/h3-4,7-11,17-18,21H,1-2,5-6,12-13H2.
What are the key properties of 1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile?
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-2-yl]indole-3,6-dicarbonitrile has a molecular weight of 392.45 g/mol, XLogP of 5.23, 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-pyridin-2-yl]indole-3,6-dicarbonitrile is sourced from PubChem (CID 66798234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).