3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide

C17H19N5O3 — CID 109066817

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2ccccc12
InChIInChI=1S/C17H19N5O3/c1-2-6-18-16(24)14-13-5-3-4-7-22(13)15(19-14)17(25)21-10-8-20(12-23)9-11-21/h2-5,7,12H,1,6,8-11H2,(H,18,24)
InChIKeyFLCPNLWNKKGURV-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.16
Rot. Bonds5

About 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide

3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109066817) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109066817
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2ccccc12
InChIInChI=1S/C17H19N5O3/c1-2-6-18-16(24)14-13-5-3-4-7-22(13)15(19-14)17(25)21-10-8-20(12-23)9-11-21/h2-5,7,12H,1,6,8-11H2,(H,18,24)
InChIKeyFLCPNLWNKKGURV-UHFFFAOYSA-N
XLogP0.16
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109066856
1-(piperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066963
1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109067029
3-(4-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070084
3-(3-methylpiperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066867
3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070069
N-benzyl-1-(4-formylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070043
4-[3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazine-1-carbaldehyde
CID 109068767
3-(4-methylpiperazine-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-1-carboxamide
CID 109065869
N-[2-(dimethylamino)ethyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069570
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide (CID 109066817) is 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide is C=CCNC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2ccccc12.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FLCPNLWNKKGURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-6-18-16(24)14-13-5-3-4-7-22(13)15(19-14)17(25)21-10-8-20(12-23)9-11-21/h2-5,7,12H,1,6,8-11H2,(H,18,24).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide?
3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 0.16, 5 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-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109066817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).