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

C17H24N8O2 — CID 72840210

IUPAC1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1nnnc1C)CC2
InChIInChI=1S/C17H24N8O2/c1-12-20-21-22-25(12)8-4-15(27)23-9-5-17(6-10-23)16-14(18-11-19-16)3-7-24(17)13(2)26/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyJTSRMRZVYHCIHX-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.02
Rot. Bonds3

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

1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 72840210) 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-(5-methyltetrazol-1-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-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID72840210
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-(5-methyltetrazol-1-yl)propan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1nnnc1C)CC2
InChIInChI=1S/C17H24N8O2/c1-12-20-21-22-25(12)8-4-15(27)23-9-5-17(6-10-23)16-14(18-11-19-16)3-7-24(17)13(2)26/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyJTSRMRZVYHCIHX-UHFFFAOYSA-N
XLogP0.02
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(5-methyltetrazol-1-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-(5-methyltetrazol-1-yl)propan-1-one (CID 72840210) is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(5-methyltetrazol-1-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-(5-methyltetrazol-1-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-(5-methyltetrazol-1-yl)propan-1-one is CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1nnnc1C)CC2.
What is the InChIKey of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is JTSRMRZVYHCIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-12-20-21-22-25(12)8-4-15(27)23-9-5-17(6-10-23)16-14(18-11-19-16)3-7-24(17)13(2)26/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(5-methyltetrazol-1-yl)propan-1-one?
1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 372.43 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 72840210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).