6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile

C20H14F2N4 — CID 142362296

IUPAC6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)(F)c1nc(C#N)c2ccc(-c3ccc(C4(C#N)CC4)cc3)cn12
InChIInChI=1S/C20H14F2N4/c1-19(21,22)18-25-16(10-23)17-7-4-14(11-26(17)18)13-2-5-15(6-3-13)20(12-24)8-9-20/h2-7,11H,8-9H2,1H3
InChIKeyJVFAQVVZNXPZTM-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.54
Rot. Bonds3

About 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile

6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 142362296) has the molecular formula C20H14F2N4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID142362296
Molecular FormulaC20H14F2N4
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)(F)c1nc(C#N)c2ccc(-c3ccc(C4(C#N)CC4)cc3)cn12
InChIInChI=1S/C20H14F2N4/c1-19(21,22)18-25-16(10-23)17-7-4-14(11-26(17)18)13-2-5-15(6-3-13)20(12-24)8-9-20/h2-7,11H,8-9H2,1H3
InChIKeyJVFAQVVZNXPZTM-UHFFFAOYSA-N
XLogP4.54
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fadrozole
CID 59693
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
2-Phenylimidazo(1,2-a)pyridine
CID 201136
4-[(5r)-5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-5-Yl]benzonitrile
CID 9815923
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
SB-216995
CID 5171
3-Phenylimidazo(1,5-a)pyridine
CID 606670
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 142362296) is 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile is CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(C4(C#N)CC4)cc3)cn12.
What is the InChIKey of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is JVFAQVVZNXPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4/c1-19(21,22)18-25-16(10-23)17-7-4-14(11-26(17)18)13-2-5-15(6-3-13)20(12-24)8-9-20/h2-7,11H,8-9H2,1H3.
What are the key properties of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 142362296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).