1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one

C26H28F2N4O3 — CID 162354662

IUPAC1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one
SMILESCCC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(N4CCCC4=O)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C26H28F2N4O3/c1-3-23(33)30-9-10-35-18(15-30)14-21-26(29-22-11-16(2)6-8-32(21)22)25-19(27)12-17(13-20(25)28)31-7-4-5-24(31)34/h6,8,11-13,18H,3-5,7,9-10,14-15H2,1-2H3/t18-/m0/s1
InChIKeyUMJFDPYCBTYJJN-SFHVURJKSA-N
MW482.53 g/mol
LogP3.89
Rot. Bonds5

About 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one

1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one (PubChem CID 162354662) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one
PubChem CID162354662
Molecular FormulaC26H28F2N4O3
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one
SMILESCCC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(N4CCCC4=O)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C26H28F2N4O3/c1-3-23(33)30-9-10-35-18(15-30)14-21-26(29-22-11-16(2)6-8-32(21)22)25-19(27)12-17(13-20(25)28)31-7-4-5-24(31)34/h6,8,11-13,18H,3-5,7,9-10,14-15H2,1-2H3/t18-/m0/s1
InChIKeyUMJFDPYCBTYJJN-SFHVURJKSA-N
XLogP3.89
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-(2,5-dioxopyrrolidin-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175041705
1-[4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]imidazolidin-2-one
CID 162354624
methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162354638
tert-butyl 2-[[2-[4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163478150
2-[[2-[2,6-difluoro-4-(methylcarbamoyloxy)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175039705
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646
methyl (2S)-2-[[2-[2,6-difluoro-4-(propan-2-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166774868
N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide
CID 166775046
methyl (2S)-2-[[2-[2,6-difluoro-4-(4-methoxyimidazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965015
methyl (2S)-2-[[2-[2,6-difluoro-4-[(4-oxocyclohexyl)amino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963277
methyl (2S)-2-[[2-[4-(3-cyanopyrrol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965274
(2S)-2-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175437897

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one (CID 162354662) is 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one is CCC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(N4CCCC4=O)cc3F)nc3cc(C)ccn23)C1.
What is the InChIKey of 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one?
The InChIKey is UMJFDPYCBTYJJN-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-3-23(33)30-9-10-35-18(15-30)14-21-26(29-22-11-16(2)6-8-32(21)22)25-19(27)12-17(13-20(25)28)31-7-4-5-24(31)34/h6,8,11-13,18H,3-5,7,9-10,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one?
1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one has a molecular weight of 482.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 162354662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).