N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

C23H22N4O4S — CID 125433752

IUPACN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1cc(=O)c(OCc2ccccc2)co1)c1nnc2ccccn12
InChIInChI=1S/C23H22N4O4S/c1-32-12-10-17(22-26-25-21-9-5-6-11-27(21)22)24-23(29)19-13-18(28)20(15-31-19)30-14-16-7-3-2-4-8-16/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,24,29)/t17-/m0/s1
InChIKeyGUZSQZKGIXGUBC-KRWDZBQOSA-N
MW450.52 g/mol
LogP3.49
Rot. Bonds9

About N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 125433752) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID125433752
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1cc(=O)c(OCc2ccccc2)co1)c1nnc2ccccn12
InChIInChI=1S/C23H22N4O4S/c1-32-12-10-17(22-26-25-21-9-5-6-11-27(21)22)24-23(29)19-13-18(28)20(15-31-19)30-14-16-7-3-2-4-8-16/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,24,29)/t17-/m0/s1
InChIKeyGUZSQZKGIXGUBC-KRWDZBQOSA-N
XLogP3.49
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide 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

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
3,4-dimethoxy-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 7693038
N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51268666
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
5-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 55940462
4-chloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-2-carboxamide
CID 86912959
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 99871339
1-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxoquinoline-4-carboxamide
CID 118985688
5-(2-chlorophenyl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 71828107
3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 51260066
2,5-dimethyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-phenylpyrrole-3-carboxamide
CID 55447973
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-propan-2-ylindole-4-carboxamide
CID 125372205

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 125433752) is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is CSCC[C@H](NC(=O)c1cc(=O)c(OCc2ccccc2)co1)c1nnc2ccccn12.
What is the InChIKey of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is GUZSQZKGIXGUBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-32-12-10-17(22-26-25-21-9-5-6-11-27(21)22)24-23(29)19-13-18(28)20(15-31-19)30-14-16-7-3-2-4-8-16/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,24,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 125433752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).