(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H21N5O3 — CID 122285632

IUPAC(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)CC2=O)c1
InChIInChI=1S/C24H21N5O3/c1-32-20-5-2-4-19(13-20)29-14-17(12-22(29)30)23(31)26-18-8-6-16(7-9-18)21-15-28-11-3-10-25-24(28)27-21/h2-11,13,15,17H,12,14H2,1H3,(H,26,31)/t17-/m0/s1
InChIKeyHIOFXNMUZCGHHU-KRWDZBQOSA-N
MW427.46 g/mol
LogP3.40
Rot. Bonds5

About (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122285632) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122285632
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)CC2=O)c1
InChIInChI=1S/C24H21N5O3/c1-32-20-5-2-4-19(13-20)29-14-17(12-22(29)30)23(31)26-18-8-6-16(7-9-18)21-15-28-11-3-10-25-24(28)27-21/h2-11,13,15,17H,12,14H2,1H3,(H,26,31)/t17-/m0/s1
InChIKeyHIOFXNMUZCGHHU-KRWDZBQOSA-N
XLogP3.40
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122285105
(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285468
1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 121024353
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122317179
(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122283561
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424432
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122316773

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 122285632) is (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)CC2=O)c1.
What is the InChIKey of (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HIOFXNMUZCGHHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-20-5-2-4-19(13-20)29-14-17(12-22(29)30)23(31)26-18-8-6-16(7-9-18)21-15-28-11-3-10-25-24(28)27-21/h2-11,13,15,17H,12,14H2,1H3,(H,26,31)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122285632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).