6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile

C16H13F3N4O — CID 71813653

IUPAC6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2nn3c(c2C(F)(F)F)CCCC3)nc1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)14-12-3-1-2-6-23(12)22-15(14)13(24)7-11-5-4-10(8-20)9-21-11/h4-5,9H,1-3,6-7H2
InChIKeyHAVDHYKFGIZULF-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.93
Rot. Bonds3

About 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile

6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile (PubChem CID 71813653) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile
PubChem CID71813653
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2nn3c(c2C(F)(F)F)CCCC3)nc1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)14-12-3-1-2-6-23(12)22-15(14)13(24)7-11-5-4-10(8-20)9-21-11/h4-5,9H,1-3,6-7H2
InChIKeyHAVDHYKFGIZULF-UHFFFAOYSA-N
XLogP2.93
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile (CID 71813653) is 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile is N#Cc1ccc(CC(=O)c2nn3c(c2C(F)(F)F)CCCC3)nc1.
What is the InChIKey of 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile?
The InChIKey is HAVDHYKFGIZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)14-12-3-1-2-6-23(12)22-15(14)13(24)7-11-5-4-10(8-20)9-21-11/h4-5,9H,1-3,6-7H2.
What are the key properties of 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile?
6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile has a molecular weight of 334.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]ethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 71813653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).