N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide

C24H24F4N4O3 — CID 166775046

IUPACN-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide
SMILESCCC(=O)N1CCOC(Cc2c(-c3c(F)cc(NC(C)=O)cc3F)nc3cc(C(F)F)ccn23)C1
InChIInChI=1S/C24H24F4N4O3/c1-3-21(34)31-6-7-35-16(12-31)11-19-23(30-20-8-14(24(27)28)4-5-32(19)20)22-17(25)9-15(10-18(22)26)29-13(2)33/h4-5,8-10,16,24H,3,6-7,11-12H2,1-2H3,(H,29,33)
InChIKeyURTGACJLHWWJDU-UHFFFAOYSA-N
MW492.47 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide

N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide (PubChem CID 166775046) has the molecular formula C24H24F4N4O3 and a molecular weight of 492.47 g/mol. Its IUPAC name is N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide
PubChem CID166775046
Molecular FormulaC24H24F4N4O3
Molecular Weight492.47 g/mol
Exact Mass492.18
IUPAC NameN-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide
SMILESCCC(=O)N1CCOC(Cc2c(-c3c(F)cc(NC(C)=O)cc3F)nc3cc(C(F)F)ccn23)C1
InChIInChI=1S/C24H24F4N4O3/c1-3-21(34)31-6-7-35-16(12-31)11-19-23(30-20-8-14(24(27)28)4-5-32(19)20)22-17(25)9-15(10-18(22)26)29-13(2)33/h4-5,8-10,16,24H,3,6-7,11-12H2,1-2H3,(H,29,33)
InChIKeyURTGACJLHWWJDU-UHFFFAOYSA-N
XLogP4.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[[2-(4-acetamido-2,6-difluorophenyl)-7-(fluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 157022152
methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827647
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
2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175172795
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
methyl (2S)-2-[[7-(difluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827690
(2S)-2-[[2-[2,6-difluoro-4-(oxan-4-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769697
methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965154
4-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 154965097
(2S)-2-[[2-[2-chloro-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709177
methyl (2S)-2-[[7-chloro-2-[2,6-difluoro-4-[(R)-hydroxy(methylamino)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 134185052
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide?
The IUPAC name of N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide (CID 166775046) is N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide.
What is the SMILES notation for N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide?
The canonical SMILES for N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide is CCC(=O)N1CCOC(Cc2c(-c3c(F)cc(NC(C)=O)cc3F)nc3cc(C(F)F)ccn23)C1.
What is the InChIKey of N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide?
The InChIKey is URTGACJLHWWJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O3/c1-3-21(34)31-6-7-35-16(12-31)11-19-23(30-20-8-14(24(27)28)4-5-32(19)20)22-17(25)9-15(10-18(22)26)29-13(2)33/h4-5,8-10,16,24H,3,6-7,11-12H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide?
N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide has a molecular weight of 492.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide is sourced from PubChem (CID 166775046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).