6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile

C15H13ClN4O — CID 71813652

IUPAC6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2nn3c(c2Cl)CCCC3)nc1
InChIInChI=1S/C15H13ClN4O/c16-14-12-3-1-2-6-20(12)19-15(14)13(21)7-11-5-4-10(8-17)9-18-11/h4-5,9H,1-3,6-7H2
InChIKeyZSXQLCPBAMUAJS-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.56
Rot. Bonds3

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

6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile (PubChem CID 71813652) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile
PubChem CID71813652
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2nn3c(c2Cl)CCCC3)nc1
InChIInChI=1S/C15H13ClN4O/c16-14-12-3-1-2-6-20(12)19-15(14)13(21)7-11-5-4-10(8-17)9-18-11/h4-5,9H,1-3,6-7H2
InChIKeyZSXQLCPBAMUAJS-UHFFFAOYSA-N
XLogP2.56
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile (CID 71813652) is 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile is N#Cc1ccc(CC(=O)c2nn3c(c2Cl)CCCC3)nc1.
What is the InChIKey of 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile?
The InChIKey is ZSXQLCPBAMUAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-14-12-3-1-2-6-20(12)19-15(14)13(21)7-11-5-4-10(8-17)9-18-11/h4-5,9H,1-3,6-7H2.
What are the key properties of 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile?
6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile has a molecular weight of 300.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 71813652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).