3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H25N5O3 — CID 109076055

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C21H25N5O3/c1-23(16-7-3-2-4-8-16)20(28)18-17-9-5-6-10-26(17)19(22-18)21(29)25-13-11-24(15-27)12-14-25/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyDPCXWTOTZHKNMA-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.41
Rot. Bonds4

About 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109076055) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109076055
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C21H25N5O3/c1-23(16-7-3-2-4-8-16)20(28)18-17-9-5-6-10-26(17)19(22-18)21(29)25-13-11-24(15-27)12-14-25/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyDPCXWTOTZHKNMA-UHFFFAOYSA-N
XLogP1.41
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109076055) is 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CN(C(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2)c1ccccc1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is DPCXWTOTZHKNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-23(16-7-3-2-4-8-16)20(28)18-17-9-5-6-10-26(17)19(22-18)21(29)25-13-11-24(15-27)12-14-25/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109076055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).