1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile

C18H22N4O — CID 110409868

IUPAC1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile
SMILESCC(C)Cc1nc(C(=O)N2CCC(C#N)CC2)c2ccccn12
InChIInChI=1S/C18H22N4O/c1-13(2)11-16-20-17(15-5-3-4-8-22(15)16)18(23)21-9-6-14(12-19)7-10-21/h3-5,8,13-14H,6-7,9-11H2,1-2H3
InChIKeyWZCQRAIWAVNOCP-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.91
Rot. Bonds3

About 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile

1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile (PubChem CID 110409868) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile
PubChem CID110409868
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile
SMILESCC(C)Cc1nc(C(=O)N2CCC(C#N)CC2)c2ccccn12
InChIInChI=1S/C18H22N4O/c1-13(2)11-16-20-17(15-5-3-4-8-22(15)16)18(23)21-9-6-14(12-19)7-10-21/h3-5,8,13-14H,6-7,9-11H2,1-2H3
InChIKeyWZCQRAIWAVNOCP-UHFFFAOYSA-N
XLogP2.91
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile (CID 110409868) is 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile is CC(C)Cc1nc(C(=O)N2CCC(C#N)CC2)c2ccccn12.
What is the InChIKey of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile?
The InChIKey is WZCQRAIWAVNOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(2)11-16-20-17(15-5-3-4-8-22(15)16)18(23)21-9-6-14(12-19)7-10-21/h3-5,8,13-14H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile?
1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 110409868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).