(4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide

C24H26N4O5S — CID 163196908

IUPAC(4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
InChIInChI=1S/C24H26N4O5S/c1-33-17-9-7-16(8-10-17)24(11-2-3-12-24)23(30)28-15-34(31,32)14-21(28)22(29)26-19-5-4-6-20-18(19)13-25-27-20/h4-10,13,21H,2-3,11-12,14-15H2,1H3,(H,25,27)(H,26,29)/t21-/m1/s1
InChIKeyVWZAAFMUYDNGED-OAQYLSRUSA-N
MW482.56 g/mol
LogP2.61
Rot. Bonds5

About (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide

(4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide (PubChem CID 163196908) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide
PubChem CID163196908
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name(4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
InChIInChI=1S/C24H26N4O5S/c1-33-17-9-7-16(8-10-17)24(11-2-3-12-24)23(30)28-15-34(31,32)14-21(28)22(29)26-19-5-4-6-20-18(19)13-25-27-20/h4-10,13,21H,2-3,11-12,14-15H2,1H3,(H,25,27)(H,26,29)/t21-/m1/s1
InChIKeyVWZAAFMUYDNGED-OAQYLSRUSA-N
XLogP2.61
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CBP/p300-IN-17
CID 142504112
(2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 142504079
N-[2-(1H-indazol-4-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 142504243
CBP/p300-IN-18
CID 163408981
(2R,4S)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 168271390
(2R)-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
CID 168279153
N-[(2R)-1-(1H-indazol-4-ylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide
CID 168289401
(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 142504335
(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
(2R)-N-(1H-indazol-6-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 172448015
(2R,4R)-4-fluoro-N-(1H-indazol-4-yl)-1-[3-(4-methoxyphenyl)oxane-3-carbonyl]pyrrolidine-2-carboxamide
CID 142504141
(2R,4S)-4-fluoro-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 142504264

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide (CID 163196908) is (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide is COc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1.
What is the InChIKey of (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is VWZAAFMUYDNGED-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-33-17-9-7-16(8-10-17)24(11-2-3-12-24)23(30)28-15-34(31,32)14-21(28)22(29)26-19-5-4-6-20-18(19)13-25-27-20/h4-10,13,21H,2-3,11-12,14-15H2,1H3,(H,25,27)(H,26,29)/t21-/m1/s1.
What are the key properties of (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
(4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 163196908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).