(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H22N4O3 — CID 124855184

IUPAC(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C17H22N4O3/c1-10(2)14(9-22)18-17(24)11-7-15(23)21(8-11)16-12-5-3-4-6-13(12)19-20-16/h3-6,10-11,14,22H,7-9H2,1-2H3,(H,18,24)(H,19,20)/t11-,14-/m0/s1
InChIKeyYSNUUYFFLSSWLF-FZMZJTMJSA-N
MW330.39 g/mol
LogP1.05
Rot. Bonds5

About (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124855184) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124855184
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C17H22N4O3/c1-10(2)14(9-22)18-17(24)11-7-15(23)21(8-11)16-12-5-3-4-6-13(12)19-20-16/h3-6,10-11,14,22H,7-9H2,1-2H3,(H,18,24)(H,19,20)/t11-,14-/m0/s1
InChIKeyYSNUUYFFLSSWLF-FZMZJTMJSA-N
XLogP1.05
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
(3R)-N-cyclohexyl-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97264665
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465842
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 99754260
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(6-bromo-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97489994
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 124855184) is (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YSNUUYFFLSSWLF-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)14(9-22)18-17(24)11-7-15(23)21(8-11)16-12-5-3-4-6-13(12)19-20-16/h3-6,10-11,14,22H,7-9H2,1-2H3,(H,18,24)(H,19,20)/t11-,14-/m0/s1.
What are the key properties of (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124855184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).