(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

C23H30N4O3 — CID 95098688

IUPAC(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1
InChIInChI=1S/C23H30N4O3/c1-24-8-2-9-25(12-11-24)22(29)18-14-21(28)27(15-18)19-5-6-20-17(13-19)7-10-26(20)23(30)16-3-4-16/h5-6,13,16,18H,2-4,7-12,14-15H2,1H3/t18-/m0/s1
InChIKeyJUDOGZSAHCYYCY-SFHVURJKSA-N
MW410.52 g/mol
LogP1.50
Rot. Bonds3

About (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 95098688) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID95098688
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1
InChIInChI=1S/C23H30N4O3/c1-24-8-2-9-25(12-11-24)22(29)18-14-21(28)27(15-18)19-5-6-20-17(13-19)7-10-26(20)23(30)16-3-4-16/h5-6,13,16,18H,2-4,7-12,14-15H2,1H3/t18-/m0/s1
InChIKeyJUDOGZSAHCYYCY-SFHVURJKSA-N
XLogP1.50
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 53155852
(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 95098414
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95098736
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (CID 95098688) is (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1.
What is the InChIKey of (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is JUDOGZSAHCYYCY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-24-8-2-9-25(12-11-24)22(29)18-14-21(28)27(15-18)19-5-6-20-17(13-19)7-10-26(20)23(30)16-3-4-16/h5-6,13,16,18H,2-4,7-12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 410.52 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95098688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).