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

C21H21N5O3 — CID 109070043

IUPACN-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=CN1CCN(C(=O)c2nc(C(=O)NCc3ccccc3)n3ccccc23)CC1
InChIInChI=1S/C21H21N5O3/c27-15-24-10-12-25(13-11-24)21(29)18-17-8-4-5-9-26(17)19(23-18)20(28)22-14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,28)
InChIKeyWAXLNZLNRFDFJE-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.18
Rot. Bonds5

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

N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109070043) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109070043
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=CN1CCN(C(=O)c2nc(C(=O)NCc3ccccc3)n3ccccc23)CC1
InChIInChI=1S/C21H21N5O3/c27-15-24-10-12-25(13-11-24)21(29)18-17-8-4-5-9-26(17)19(23-18)20(28)22-14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,28)
InChIKeyWAXLNZLNRFDFJE-UHFFFAOYSA-N
XLogP1.18
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.18
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-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070069
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
N-[(4-chlorophenyl)methyl]-1-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109069288
3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066817
4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde
CID 109068767
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109067029
1-(piperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066963
N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069940

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 109070043) is N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide is O=CN1CCN(C(=O)c2nc(C(=O)NCc3ccccc3)n3ccccc23)CC1.
What is the InChIKey of N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WAXLNZLNRFDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-15-24-10-12-25(13-11-24)21(29)18-17-8-4-5-9-26(17)19(23-18)20(28)22-14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,28).
What are the key properties of N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109070043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).