(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

C20H26N4O2 — CID 97118781

IUPAC(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H26N4O2/c25-19-12-16(14-23(19)17-7-2-3-8-17)20(26)21-10-5-11-24-18-9-4-1-6-15(18)13-22-24/h1,4,6,9,13,16-17H,2-3,5,7-8,10-12,14H2,(H,21,26)/t16-/m1/s1
InChIKeyKYFSBZYXQJXODI-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.33
Rot. Bonds6

About (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97118781) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97118781
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H26N4O2/c25-19-12-16(14-23(19)17-7-2-3-8-17)20(26)21-10-5-11-24-18-9-4-1-6-15(18)13-22-24/h1,4,6,9,13,16-17H,2-3,5,7-8,10-12,14H2,(H,21,26)/t16-/m1/s1
InChIKeyKYFSBZYXQJXODI-MRXNPFEDSA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131135
(3S)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131136
(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97130759
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
1-cyclopentyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86929747
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 72930951

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 97118781) is (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCCn1ncc2ccccc21)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KYFSBZYXQJXODI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19-12-16(14-23(19)17-7-2-3-8-17)20(26)21-10-5-11-24-18-9-4-1-6-15(18)13-22-24/h1,4,6,9,13,16-17H,2-3,5,7-8,10-12,14H2,(H,21,26)/t16-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97118781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).