(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H26N4O2 — CID 97118436

IUPAC(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)nn2C
InChIInChI=1S/C20H26N4O2/c1-13-7-8-18-16(9-13)17(22-23(18)2)11-21-20(26)14-10-19(25)24(12-14)15-5-3-4-6-15/h7-9,14-15H,3-6,10-12H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyZVUOWXROWBFVIV-CQSZACIVSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds4

About (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97118436) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97118436
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)nn2C
InChIInChI=1S/C20H26N4O2/c1-13-7-8-18-16(9-13)17(22-23(18)2)11-21-20(26)14-10-19(25)24(12-14)15-5-3-4-6-15/h7-9,14-15H,3-6,10-12H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyZVUOWXROWBFVIV-CQSZACIVSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775694
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86979242
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95200527
(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
1-cyclopentyl-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024507
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97118436) is (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)nn2C.
What is the InChIKey of (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZVUOWXROWBFVIV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-7-8-18-16(9-13)17(22-23(18)2)11-21-20(26)14-10-19(25)24(12-14)15-5-3-4-6-15/h7-9,14-15H,3-6,10-12H2,1-2H3,(H,21,26)/t14-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97118436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).