(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

C17H20N4O2 — CID 94770944

IUPAC(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESNc1nn(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc12
InChIInChI=1S/C17H20N4O2/c18-16-13-7-3-4-8-14(13)21(19-16)17(23)11-9-15(22)20(10-11)12-5-1-2-6-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,18,19)/t11-/m0/s1
InChIKeyHHARFGYZHFDAEM-NSHDSACASA-N
MW312.37 g/mol
LogP2.05
Rot. Bonds2

About (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (PubChem CID 94770944) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
PubChem CID94770944
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESNc1nn(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc12
InChIInChI=1S/C17H20N4O2/c18-16-13-7-3-4-8-14(13)21(19-16)17(23)11-9-15(22)20(10-11)12-5-1-2-6-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,18,19)/t11-/m0/s1
InChIKeyHHARFGYZHFDAEM-NSHDSACASA-N
XLogP2.05
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)pyrrolidin-2-one
CID 20866293
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110612523
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
(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
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (CID 94770944) is (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is Nc1nn(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc12.
What is the InChIKey of (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The InChIKey is HHARFGYZHFDAEM-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2/c18-16-13-7-3-4-8-14(13)21(19-16)17(23)11-9-15(22)20(10-11)12-5-1-2-6-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,18,19)/t11-/m0/s1.
What are the key properties of (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 94770944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).