(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C26H24N4O3 — CID 122283561

IUPAC(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3cc(-c4cn5ccccc5n4)ccc3C)CC2=O)c1
InChIInChI=1S/C26H24N4O3/c1-17-9-10-18(23-16-29-11-4-3-8-24(29)27-23)12-22(17)28-26(32)19-13-25(31)30(15-19)20-6-5-7-21(14-20)33-2/h3-12,14,16,19H,13,15H2,1-2H3,(H,28,32)/t19-/m0/s1
InChIKeyRRSYSKDDZADKKZ-IBGZPJMESA-N
MW440.50 g/mol
LogP4.31
Rot. Bonds5

About (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122283561) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122283561
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3cc(-c4cn5ccccc5n4)ccc3C)CC2=O)c1
InChIInChI=1S/C26H24N4O3/c1-17-9-10-18(23-16-29-11-4-3-8-24(29)27-23)12-22(17)28-26(32)19-13-25(31)30(15-19)20-6-5-7-21(14-20)33-2/h3-12,14,16,19H,13,15H2,1-2H3,(H,28,32)/t19-/m0/s1
InChIKeyRRSYSKDDZADKKZ-IBGZPJMESA-N
XLogP4.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285632
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285468
(3S)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122284903
1-(3-methoxyphenyl)-N-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55555826
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56530985
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559120
N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964360
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
methyl 3-[4-[(2,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189317

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 122283561) is (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)Nc3cc(-c4cn5ccccc5n4)ccc3C)CC2=O)c1.
What is the InChIKey of (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RRSYSKDDZADKKZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-9-10-18(23-16-29-11-4-3-8-24(29)27-23)12-22(17)28-26(32)19-13-25(31)30(15-19)20-6-5-7-21(14-20)33-2/h3-12,14,16,19H,13,15H2,1-2H3,(H,28,32)/t19-/m0/s1.
What are the key properties of (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122283561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).