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

C21H21N5O3 — CID 109070084

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)n3ccccc23)cc1
InChIInChI=1S/C21H21N5O3/c1-15-5-7-16(8-6-15)22-20(28)18-17-4-2-3-9-26(17)19(23-18)21(29)25-12-10-24(14-27)11-13-25/h2-9,14H,10-13H2,1H3,(H,22,28)
InChIKeyKCQNSGFMZNQPIN-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.81
Rot. Bonds4

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

3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109070084) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109070084
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)n3ccccc23)cc1
InChIInChI=1S/C21H21N5O3/c1-15-5-7-16(8-6-15)22-20(28)18-17-4-2-3-9-26(17)19(23-18)21(29)25-12-10-24(14-27)11-13-25/h2-9,14H,10-13H2,1H3,(H,22,28)
InChIKeyKCQNSGFMZNQPIN-UHFFFAOYSA-N
XLogP1.81
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066817
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776
4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde
CID 109068767
N-(4-methoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068814
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070034
1-N-(4-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066397
N-(4-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068805
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071760
3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070069
1-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071966

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109070084) is 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide is Cc1ccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)n3ccccc23)cc1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KCQNSGFMZNQPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-15-5-7-16(8-6-15)22-20(28)18-17-4-2-3-9-26(17)19(23-18)21(29)25-12-10-24(14-27)11-13-25/h2-9,14H,10-13H2,1H3,(H,22,28).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109070084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).