1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide

C21H20N6O3S — CID 16832851

IUPAC1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1
InChIInChI=1S/C21H20N6O3S/c22-18(28)14-10-12-26(13-11-14)19-16-8-4-5-9-17(16)27-20(23-19)21(24-25-27)31(29,30)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,28)
InChIKeyRVFJDZMGSICQGO-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide

1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide (PubChem CID 16832851) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide
PubChem CID16832851
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1
InChIInChI=1S/C21H20N6O3S/c22-18(28)14-10-12-26(13-11-14)19-16-8-4-5-9-17(16)27-20(23-19)21(24-25-27)31(29,30)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,28)
InChIKeyRVFJDZMGSICQGO-UHFFFAOYSA-N
XLogP1.81
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide 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-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide (CID 16832851) is 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1.
What is the InChIKey of 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide?
The InChIKey is RVFJDZMGSICQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c22-18(28)14-10-12-26(13-11-14)19-16-8-4-5-9-17(16)27-20(23-19)21(24-25-27)31(29,30)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,28).
What are the key properties of 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide?
1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide has a molecular weight of 436.50 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16832851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).