(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H19N5O2 — CID 122285105

IUPAC(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H19N5O2/c29-21-13-17(14-28(21)19-8-2-1-3-9-19)22(30)25-18-7-4-6-16(12-18)20-15-27-11-5-10-24-23(27)26-20/h1-12,15,17H,13-14H2,(H,25,30)/t17-/m0/s1
InChIKeyWRXBRVOOZRUNEX-KRWDZBQOSA-N
MW397.44 g/mol
LogP3.39
Rot. Bonds4

About (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 122285105) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID122285105
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H19N5O2/c29-21-13-17(14-28(21)19-8-2-1-3-9-19)22(30)25-18-7-4-6-16(12-18)20-15-27-11-5-10-24-23(27)26-20/h1-12,15,17H,13-14H2,(H,25,30)/t17-/m0/s1
InChIKeyWRXBRVOOZRUNEX-KRWDZBQOSA-N
XLogP3.39
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285632
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CID 122284903
(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285468
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46446482
1-(4-butylphenyl)-5-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108770425
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)quinoline-2-carboxamide
CID 122285084
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 122285105) is (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WRXBRVOOZRUNEX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-21-13-17(14-28(21)19-8-2-1-3-9-19)22(30)25-18-7-4-6-16(12-18)20-15-27-11-5-10-24-23(27)26-20/h1-12,15,17H,13-14H2,(H,25,30)/t17-/m0/s1.
What are the key properties of (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122285105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).