(4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide

C24H27N5O5S — CID 146500384

IUPAC(4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
InChIInChI=1S/C24H27N5O5S/c1-34-17-7-5-16(6-8-17)24(11-3-2-4-12-24)23(31)29-15-35(32,33)14-20(29)22(30)27-21-10-9-18-19(26-21)13-25-28-18/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,25,28)(H,26,27,30)/t20-/m1/s1
InChIKeyRLKWUVAMXJUOAR-HXUWFJFHSA-N
MW497.58 g/mol
LogP2.39
Rot. Bonds5

About (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide

(4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 146500384) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID146500384
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name(4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
InChIInChI=1S/C24H27N5O5S/c1-34-17-7-5-16(6-8-17)24(11-3-2-4-12-24)23(31)29-15-35(32,33)14-20(29)22(30)27-21-10-9-18-19(26-21)13-25-28-18/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,25,28)(H,26,27,30)/t20-/m1/s1
InChIKeyRLKWUVAMXJUOAR-HXUWFJFHSA-N
XLogP2.39
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-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 (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide (CID 146500384) is (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1.
What is the InChIKey of (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is RLKWUVAMXJUOAR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-34-17-7-5-16(6-8-17)24(11-3-2-4-12-24)23(31)29-15-35(32,33)14-20(29)22(30)27-21-10-9-18-19(26-21)13-25-28-18/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,25,28)(H,26,27,30)/t20-/m1/s1.
What are the key properties of (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 146500384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).