(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide

C27H31N5O4 — CID 142504138

IUPAC(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](NC(C)=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
InChIInChI=1S/C27H31N5O4/c1-17(33)29-19-14-24(25(34)30-22-6-5-7-23-21(22)15-28-31-23)32(16-19)26(35)27(12-3-4-13-27)18-8-10-20(36-2)11-9-18/h5-11,15,19,24H,3-4,12-14,16H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t19-,24-/m1/s1
InChIKeyKXHDZXPYRSOVCL-NTKDMRAZSA-N
MW489.58 g/mol
LogP3.13
Rot. Bonds6

About (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide

(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 142504138) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID142504138
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](NC(C)=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
InChIInChI=1S/C27H31N5O4/c1-17(33)29-19-14-24(25(34)30-22-6-5-7-23-21(22)15-28-31-23)32(16-19)26(35)27(12-3-4-13-27)18-8-10-20(36-2)11-9-18/h5-11,15,19,24H,3-4,12-14,16H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t19-,24-/m1/s1
InChIKeyKXHDZXPYRSOVCL-NTKDMRAZSA-N
XLogP3.13
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-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

(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 146500308
(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504351
1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
CID 157419858
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
CID 142504337
(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504326
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60933243
1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
CID 66551491
(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72886878
N-(1H-indazol-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423269
N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide
CID 69434044

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide (CID 142504138) is (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide is COc1ccc(C2(C(=O)N3C[C@H](NC(C)=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1.
What is the InChIKey of (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is KXHDZXPYRSOVCL-NTKDMRAZSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-17(33)29-19-14-24(25(34)30-22-6-5-7-23-21(22)15-28-31-23)32(16-19)26(35)27(12-3-4-13-27)18-8-10-20(36-2)11-9-18/h5-11,15,19,24H,3-4,12-14,16H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t19-,24-/m1/s1.
What are the key properties of (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).