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

C25H28N4O4 — CID 142504079

IUPAC(2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
InChIInChI=1S/C25H28N4O4/c1-33-18-9-7-16(8-10-18)25(11-2-3-12-25)24(32)29-15-17(30)13-22(29)23(31)27-20-5-4-6-21-19(20)14-26-28-21/h4-10,14,17,22,30H,2-3,11-13,15H2,1H3,(H,26,28)(H,27,31)/t17-,22-/m1/s1
InChIKeyUQKNCQXHKZNFDX-VGOFRKELSA-N
MW448.52 g/mol
LogP2.98
Rot. Bonds5

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

(2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 142504079) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID142504079
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name(2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
InChIInChI=1S/C25H28N4O4/c1-33-18-9-7-16(8-10-18)25(11-2-3-12-25)24(32)29-15-17(30)13-22(29)23(31)27-20-5-4-6-21-19(20)14-26-28-21/h4-10,14,17,22,30H,2-3,11-13,15H2,1H3,(H,26,28)(H,27,31)/t17-,22-/m1/s1
InChIKeyUQKNCQXHKZNFDX-VGOFRKELSA-N
XLogP2.98
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CBP/p300-IN-17
CID 142504112
(4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide
CID 163196908
N-[2-(1H-indazol-4-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 142504243
2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-6-(1H-pyrazol-5-ylmethyl)-1,4-diazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 46228814
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
US10112939, Example 108
CID 118878876
(2R)-N-(1H-indazol-6-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 172448015
(2R,4R)-4-hydroxy-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 172467446

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide (CID 142504079) is (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide is COc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is UQKNCQXHKZNFDX-VGOFRKELSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-33-18-9-7-16(8-10-18)25(11-2-3-12-25)24(32)29-15-17(30)13-22(29)23(31)27-20-5-4-6-21-19(20)14-26-28-21/h4-10,14,17,22,30H,2-3,11-13,15H2,1H3,(H,26,28)(H,27,31)/t17-,22-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).