5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline

C24H27N5O2S — CID 51605756

IUPAC5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline
SMILESCC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)cc1
InChIInChI=1S/C24H27N5O2S/c1-16(2)18-10-12-19(13-11-18)32(30,31)24-23-25-22(28-14-6-7-17(3)15-28)20-8-4-5-9-21(20)29(23)27-26-24/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3/t17-/m0/s1
InChIKeyCZBYBHPRUATDMM-KRWDZBQOSA-N
MW449.58 g/mol
LogP4.47
Rot. Bonds4

About 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline

5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline (PubChem CID 51605756) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline
PubChem CID51605756
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline
SMILESCC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)cc1
InChIInChI=1S/C24H27N5O2S/c1-16(2)18-10-12-19(13-11-18)32(30,31)24-23-25-22(28-14-6-7-17(3)15-28)20-8-4-5-9-21(20)29(23)27-26-24/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3/t17-/m0/s1
InChIKeyCZBYBHPRUATDMM-KRWDZBQOSA-N
XLogP4.47
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dimethylphenyl)sulfonyl-5-[(3R)-3-methylpiperidin-1-yl]triazolo[1,5-a]quinazoline
CID 2151700
10-(4-methylphenyl)sulfonyl-7-(3-methylpiperidin-1-yl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 18560188
1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide
CID 16832851
5-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazoline
CID 18590298
3-(benzenesulfonyl)-5-(4-benzylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 16807303
3-(benzenesulfonyl)-5-(4-prop-2-enylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 51366198
N-(2-ethoxyphenyl)-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 18559717
3-(4-methylphenyl)sulfonyl-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 7470701
3-(4-chlorophenyl)sulfonyl-N-cycloheptyltriazolo[1,5-a]quinazolin-5-amine
CID 18559418
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine
CID 18559153
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
CID 97034684

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline?
The IUPAC name of 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline (CID 51605756) is 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline?
The canonical SMILES for 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline is CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)cc1.
What is the InChIKey of 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline?
The InChIKey is CZBYBHPRUATDMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-16(2)18-10-12-19(13-11-18)32(30,31)24-23-25-22(28-14-6-7-17(3)15-28)20-8-4-5-9-21(20)29(23)27-26-24/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline?
5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline has a molecular weight of 449.58 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline is sourced from PubChem (CID 51605756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).