(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide

C25H28N4O3 — CID 142504335

IUPAC(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4c3)CCCC2)cc1
InChIInChI=1S/C25H28N4O3/c1-32-20-9-6-18(7-10-20)25(12-2-3-13-25)24(31)29-14-4-5-22(29)23(30)27-19-8-11-21-17(15-19)16-26-28-21/h6-11,15-16,22H,2-5,12-14H2,1H3,(H,26,28)(H,27,30)/t22-/m1/s1
InChIKeyXBDPBTSCHVDILV-JOCHJYFZSA-N
MW432.52 g/mol
LogP4.01
Rot. Bonds5

About (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide

(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 142504335) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID142504335
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4c3)CCCC2)cc1
InChIInChI=1S/C25H28N4O3/c1-32-20-9-6-18(7-10-20)25(12-2-3-13-25)24(31)29-14-4-5-22(29)23(30)27-19-8-11-21-17(15-19)16-26-28-21/h6-11,15-16,22H,2-5,12-14H2,1H3,(H,26,28)(H,27,30)/t22-/m1/s1
InChIKeyXBDPBTSCHVDILV-JOCHJYFZSA-N
XLogP4.01
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1H-indazol-5-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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide (CID 142504335) is (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide is COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4c3)CCCC2)cc1.
What is the InChIKey of (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is XBDPBTSCHVDILV-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-20-9-6-18(7-10-20)25(12-2-3-13-25)24(31)29-14-4-5-22(29)23(30)27-19-8-11-21-17(15-19)16-26-28-21/h6-11,15-16,22H,2-5,12-14H2,1H3,(H,26,28)(H,27,30)/t22-/m1/s1.
What are the key properties of (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide?
(2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-indazol-5-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).