2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile

C16H13N5O — CID 71813654

IUPAC2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2nn3c(c2C#N)CCCC3)nc1
InChIInChI=1S/C16H13N5O/c17-8-11-4-5-12(19-10-11)7-15(22)16-13(9-18)14-3-1-2-6-21(14)20-16/h4-5,10H,1-3,6-7H2
InChIKeyICFDNQVKSYPQHI-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile

2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 71813654) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID71813654
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2nn3c(c2C#N)CCCC3)nc1
InChIInChI=1S/C16H13N5O/c17-8-11-4-5-12(19-10-11)7-15(22)16-13(9-18)14-3-1-2-6-21(14)20-16/h4-5,10H,1-3,6-7H2
InChIKeyICFDNQVKSYPQHI-UHFFFAOYSA-N
XLogP1.78
TPSA95.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile (CID 71813654) is 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccc(CC(=O)c2nn3c(c2C#N)CCCC3)nc1.
What is the InChIKey of 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ICFDNQVKSYPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-8-11-4-5-12(19-10-11)7-15(22)16-13(9-18)14-3-1-2-6-21(14)20-16/h4-5,10H,1-3,6-7H2.
What are the key properties of 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile?
2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyano-2-pyridinyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 71813654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).