1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C25H21FN4O2 — CID 90570252

IUPAC1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C25H21FN4O2/c26-19-9-11-21(12-10-19)29-16-18(14-24(29)31)25(32)30(20-6-2-1-3-7-20)17-22-15-27-23-8-4-5-13-28(22)23/h1-13,15,18H,14,16-17H2
InChIKeyCWUVRINVIMYUDO-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 90570252) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID90570252
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C25H21FN4O2/c26-19-9-11-21(12-10-19)29-16-18(14-24(29)31)25(32)30(20-6-2-1-3-7-20)17-22-15-27-23-8-4-5-13-28(22)23/h1-13,15,18H,14,16-17H2
InChIKeyCWUVRINVIMYUDO-UHFFFAOYSA-N
XLogP4.06
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 17310597
1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 90570469
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577
(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94816759
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 90570280
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
CID 90570183
2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
CID 71802014
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 90570252) is 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is CWUVRINVIMYUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-19-9-11-21(12-10-19)29-16-18(14-24(29)31)25(32)30(20-6-2-1-3-7-20)17-22-15-27-23-8-4-5-13-28(22)23/h1-13,15,18H,14,16-17H2.
What are the key properties of 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90570252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).