1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C17H17N9O2 — CID 146045100

IUPAC1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(c1cc(-n2cnnn2)n[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H17N9O2/c27-15(13-9-14(22-21-13)26-10-18-23-24-26)25-7-5-17(6-8-25)16(28)19-11-3-1-2-4-12(11)20-17/h1-4,9-10,20H,5-8H2,(H,19,28)(H,21,22)
InChIKeyKDVCXGGKSDAVIZ-UHFFFAOYSA-N
MW379.38 g/mol
LogP0.42
Rot. Bonds2

About 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 146045100) has the molecular formula C17H17N9O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID146045100
Molecular FormulaC17H17N9O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(c1cc(-n2cnnn2)n[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H17N9O2/c27-15(13-9-14(22-21-13)26-10-18-23-24-26)25-7-5-17(6-8-25)16(28)19-11-3-1-2-4-12(11)20-17/h1-4,9-10,20H,5-8H2,(H,19,28)(H,21,22)
InChIKeyKDVCXGGKSDAVIZ-UHFFFAOYSA-N
XLogP0.42
TPSA133.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-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'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 146045100) is 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is KDVCXGGKSDAVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O2/c27-15(13-9-14(22-21-13)26-10-18-23-24-26)25-7-5-17(6-8-25)16(28)19-11-3-1-2-4-12(11)20-17/h1-4,9-10,20H,5-8H2,(H,19,28)(H,21,22).
What are the key properties of 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 379.38 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 146045100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).