(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C25H27N3O3 — CID 95098736

IUPAC(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-16(17-5-3-2-4-6-17)26-24(30)20-14-23(29)28(15-20)21-9-10-22-19(13-21)11-12-27(22)25(31)18-7-8-18/h2-6,9-10,13,16,18,20H,7-8,11-12,14-15H2,1H3,(H,26,30)/t16-,20-/m1/s1
InChIKeyCUGVMEXLFQVZQA-OXQOHEQNSA-N
MW417.51 g/mol
LogP3.22
Rot. Bonds5

About (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 95098736) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID95098736
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-16(17-5-3-2-4-6-17)26-24(30)20-14-23(29)28(15-20)21-9-10-22-19(13-21)11-12-27(22)25(31)18-7-8-18/h2-6,9-10,13,16,18,20H,7-8,11-12,14-15H2,1H3,(H,26,30)/t16-,20-/m1/s1
InChIKeyCUGVMEXLFQVZQA-OXQOHEQNSA-N
XLogP3.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-oxo-N-[(1R)-1-phenylethyl]-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098604
(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95098519
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 53200867
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 53155620
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 95098736) is (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is CUGVMEXLFQVZQA-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16(17-5-3-2-4-6-17)26-24(30)20-14-23(29)28(15-20)21-9-10-22-19(13-21)11-12-27(22)25(31)18-7-8-18/h2-6,9-10,13,16,18,20H,7-8,11-12,14-15H2,1H3,(H,26,30)/t16-,20-/m1/s1.
What are the key properties of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95098736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).