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

C20H20N6O3 — CID 109070069

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=CN1CCN(C(=O)c2nc(C(=O)NCc3cccnc3)c3ccccn23)CC1
InChIInChI=1S/C20H20N6O3/c27-14-24-8-10-25(11-9-24)20(29)18-23-17(16-5-1-2-7-26(16)18)19(28)22-13-15-4-3-6-21-12-15/h1-7,12,14H,8-11,13H2,(H,22,28)
InChIKeyCQMVXLREWFDRRE-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.57
Rot. Bonds5

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

3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109070069) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109070069
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=CN1CCN(C(=O)c2nc(C(=O)NCc3cccnc3)c3ccccn23)CC1
InChIInChI=1S/C20H20N6O3/c27-14-24-8-10-25(11-9-24)20(29)18-23-17(16-5-1-2-7-26(16)18)19(28)22-13-15-4-3-6-21-12-15/h1-7,12,14H,8-11,13H2,(H,22,28)
InChIKeyCQMVXLREWFDRRE-UHFFFAOYSA-N
XLogP0.57
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070043
1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066817
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070021
1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067153
1-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070682
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070084

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109070069) is 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is O=CN1CCN(C(=O)c2nc(C(=O)NCc3cccnc3)c3ccccn23)CC1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CQMVXLREWFDRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-14-24-8-10-25(11-9-24)20(29)18-23-17(16-5-1-2-7-26(16)18)19(28)22-13-15-4-3-6-21-12-15/h1-7,12,14H,8-11,13H2,(H,22,28).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109070069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).