N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H21N5O2 — CID 109068818

IUPACN-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)CC1
InChIInChI=1S/C22H21N5O2/c1-15-8-11-26(12-9-15)22(29)20-25-19(18-7-2-3-10-27(18)20)21(28)24-17-6-4-5-16(13-17)14-23/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyYAXKNKZFZKFLHY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.33
Rot. Bonds3

About N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109068818) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109068818
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)CC1
InChIInChI=1S/C22H21N5O2/c1-15-8-11-26(12-9-15)22(29)20-25-19(18-7-2-3-10-27(18)20)21(28)24-17-6-4-5-16(13-17)14-23/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyYAXKNKZFZKFLHY-UHFFFAOYSA-N
XLogP3.33
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109068818) is N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is CC1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)CC1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is YAXKNKZFZKFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-8-11-26(12-9-15)22(29)20-25-19(18-7-2-3-10-27(18)20)21(28)24-17-6-4-5-16(13-17)14-23/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,24,28).
What are the key properties of N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109068818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).