1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide

C21H29N5O3 — CID 109070097

IUPAC1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1nc(C(=O)N2CCN(C(C)=O)CC2)c2ccccn12
InChIInChI=1S/C21H29N5O3/c1-4-9-24(10-5-2)21(29)19-22-18(17-8-6-7-11-26(17)19)20(28)25-14-12-23(13-15-25)16(3)27/h6-8,11H,4-5,9-10,12-15H2,1-3H3
InChIKeyOXFCNCCCCIYAKA-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.90
Rot. Bonds6

About 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide

1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109070097) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109070097
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1nc(C(=O)N2CCN(C(C)=O)CC2)c2ccccn12
InChIInChI=1S/C21H29N5O3/c1-4-9-24(10-5-2)21(29)19-22-18(17-8-6-7-11-26(17)19)20(28)25-14-12-23(13-15-25)16(3)27/h6-8,11H,4-5,9-10,12-15H2,1-3H3
InChIKeyOXFCNCCCCIYAKA-UHFFFAOYSA-N
XLogP1.90
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
N-butyl-N-methyl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067949
1-N-cyclopentyl-3-N,3-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068204
1-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066342
3-N-methyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071669
3-N-ethyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071679
3-(4-methylpiperazine-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-1-carboxamide
CID 109065869
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
3-N-butan-2-yl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067823
N-benzyl-N-methyl-1-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068377
1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
CID 47839617
N-[2-(dimethylamino)ethyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069570

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide (CID 109070097) is 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide is CCCN(CCC)C(=O)c1nc(C(=O)N2CCN(C(C)=O)CC2)c2ccccn12.
What is the InChIKey of 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OXFCNCCCCIYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-4-9-24(10-5-2)21(29)19-22-18(17-8-6-7-11-26(17)19)20(28)25-14-12-23(13-15-25)16(3)27/h6-8,11H,4-5,9-10,12-15H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide?
1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109070097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).