4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde

C20H25N5O3 — CID 109068767

IUPAC4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde
SMILESCC1CCN(C(=O)c2nc(C(=O)N3CCN(C=O)CC3)c3ccccn23)CC1
InChIInChI=1S/C20H25N5O3/c1-15-5-8-23(9-6-15)20(28)18-21-17(16-4-2-3-7-25(16)18)19(27)24-12-10-22(14-26)11-13-24/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyTUZHZRZDBRPEHE-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.12
Rot. Bonds3

About 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde

4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109068767) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde
PubChem CID109068767
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde
SMILESCC1CCN(C(=O)c2nc(C(=O)N3CCN(C=O)CC3)c3ccccn23)CC1
InChIInChI=1S/C20H25N5O3/c1-15-5-8-23(9-6-15)20(28)18-21-17(16-4-2-3-7-25(16)18)19(27)24-12-10-22(14-26)11-13-24/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyTUZHZRZDBRPEHE-UHFFFAOYSA-N
XLogP1.12
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperidine-1-carbonyl)-N-phenylimidazo[1,5-a]pyridine-3-carboxamide
CID 109068726
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070084
[3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-morpholin-4-ylmethanone
CID 109069309
3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066817
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070043
N-butan-2-yl-1-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067770
N-(4-methoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068814
N-(4-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068805
N-(2,3-dimethylphenyl)-1-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068737
3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070069

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde (CID 109068767) is 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde is CC1CCN(C(=O)c2nc(C(=O)N3CCN(C=O)CC3)c3ccccn23)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is TUZHZRZDBRPEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-5-8-23(9-6-15)20(28)18-21-17(16-4-2-3-7-25(16)18)19(27)24-12-10-22(14-26)11-13-24/h2-4,7,14-15H,5-6,8-13H2,1H3.
What are the key properties of 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde?
4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 383.45 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109068767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).