1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one

C17H24N8O2 — CID 72871364

IUPAC1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1nc(N)n[nH]1)CC2
InChIInChI=1S/C17H24N8O2/c1-11(26)25-7-4-12-15(20-10-19-12)17(25)5-8-24(9-6-17)14(27)3-2-13-21-16(18)23-22-13/h10H,2-9H2,1H3,(H,19,20)(H3,18,21,22,23)
InChIKeyFBQPGDWSHBLHKE-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.03
Rot. Bonds3

About 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one

1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one (PubChem CID 72871364) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one
PubChem CID72871364
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1nc(N)n[nH]1)CC2
InChIInChI=1S/C17H24N8O2/c1-11(26)25-7-4-12-15(20-10-19-12)17(25)5-8-24(9-6-17)14(27)3-2-13-21-16(18)23-22-13/h10H,2-9H2,1H3,(H,19,20)(H3,18,21,22,23)
InChIKeyFBQPGDWSHBLHKE-UHFFFAOYSA-N
XLogP-0.03
TPSA136.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one?
The IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one (CID 72871364) is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one?
The canonical SMILES for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one is CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1nc(N)n[nH]1)CC2.
What is the InChIKey of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one?
The InChIKey is FBQPGDWSHBLHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-11(26)25-7-4-12-15(20-10-19-12)17(25)5-8-24(9-6-17)14(27)3-2-13-21-16(18)23-22-13/h10H,2-9H2,1H3,(H,19,20)(H3,18,21,22,23).
What are the key properties of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one?
1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one has a molecular weight of 372.43 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one is sourced from PubChem (CID 72871364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).