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

C25H23N5O3 — CID 122285468

IUPAC(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C25H23N5O3/c1-16-4-7-19(8-5-16)30-14-18(13-23(30)31)24(32)27-20-12-17(6-9-22(20)33-2)21-15-29-11-3-10-26-25(29)28-21/h3-12,15,18H,13-14H2,1-2H3,(H,27,32)/t18-/m0/s1
InChIKeyBIZLDAPBWCFBFX-SFHVURJKSA-N
MW441.49 g/mol
LogP3.70
Rot. Bonds5

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

(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122285468) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122285468
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C25H23N5O3/c1-16-4-7-19(8-5-16)30-14-18(13-23(30)31)24(32)27-20-12-17(6-9-22(20)33-2)21-15-29-11-3-10-26-25(29)28-21/h3-12,15,18H,13-14H2,1-2H3,(H,27,32)/t18-/m0/s1
InChIKeyBIZLDAPBWCFBFX-SFHVURJKSA-N
XLogP3.70
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122285105
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
(3S)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122283561
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172
N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497512
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 122285468) is (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BIZLDAPBWCFBFX-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16-4-7-19(8-5-16)30-14-18(13-23(30)31)24(32)27-20-12-17(6-9-22(20)33-2)21-15-29-11-3-10-26-25(29)28-21/h3-12,15,18H,13-14H2,1-2H3,(H,27,32)/t18-/m0/s1.
What are the key properties of (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122285468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).