N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C25H29FN4O3 — CID 125163087

IUPACN-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(C[C@@]2(CCC(=O)NCc3cn4c(C)cc(C)cc4n3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C25H29FN4O3/c1-16-10-17(2)30-15-19(28-22(30)11-16)14-27-23(31)6-8-25(9-7-24(32)29-25)13-18-4-5-20(33-3)12-21(18)26/h4-5,10-12,15H,6-9,13-14H2,1-3H3,(H,27,31)(H,29,32)/t25-/m1/s1
InChIKeyUSTRPEJRNGJPBO-RUZDIDTESA-N
MW452.53 g/mol
LogP3.39
Rot. Bonds8

About N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 125163087) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID125163087
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC NameN-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(C[C@@]2(CCC(=O)NCc3cn4c(C)cc(C)cc4n3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C25H29FN4O3/c1-16-10-17(2)30-15-19(28-22(30)11-16)14-27-23(31)6-8-25(9-7-24(32)29-25)13-18-4-5-20(33-3)12-21(18)26/h4-5,10-12,15H,6-9,13-14H2,1-3H3,(H,27,31)(H,29,32)/t25-/m1/s1
InChIKeyUSTRPEJRNGJPBO-RUZDIDTESA-N
XLogP3.39
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 125163087) is N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1ccc(C[C@@]2(CCC(=O)NCc3cn4c(C)cc(C)cc4n3)CCC(=O)N2)c(F)c1.
What is the InChIKey of N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is USTRPEJRNGJPBO-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-16-10-17(2)30-15-19(28-22(30)11-16)14-27-23(31)6-8-25(9-7-24(32)29-25)13-18-4-5-20(33-3)12-21(18)26/h4-5,10-12,15H,6-9,13-14H2,1-3H3,(H,27,31)(H,29,32)/t25-/m1/s1.
What are the key properties of N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 452.53 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 125163087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).