methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate

C30H20F4N4O4 — CID 71283111

IUPACmethyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCc5ccc(F)c(F)c5)ccc4F)cnc3c2)cc1F
InChIInChI=1S/C30H20F4N4O4/c1-42-30(41)20-5-3-17(11-23(20)33)18-8-9-38-26(15-35-27(38)13-18)29(40)37-25-12-19(4-7-22(25)32)28(39)36-14-16-2-6-21(31)24(34)10-16/h2-13,15H,14H2,1H3,(H,36,39)(H,37,40)
InChIKeyFGUVCYRRRRKYJN-UHFFFAOYSA-N
MW576.51 g/mol
LogP5.53
Rot. Bonds7

About methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate

methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate (PubChem CID 71283111) has the molecular formula C30H20F4N4O4 and a molecular weight of 576.51 g/mol. Its IUPAC name is methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
PubChem CID71283111
Molecular FormulaC30H20F4N4O4
Molecular Weight576.51 g/mol
Exact Mass576.14
IUPAC Namemethyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCc5ccc(F)c(F)c5)ccc4F)cnc3c2)cc1F
InChIInChI=1S/C30H20F4N4O4/c1-42-30(41)20-5-3-17(11-23(20)33)18-8-9-38-26(15-35-27(38)13-18)29(40)37-25-12-19(4-7-22(25)32)28(39)36-14-16-2-6-21(31)24(34)10-16/h2-13,15H,14H2,1H3,(H,36,39)(H,37,40)
InChIKeyFGUVCYRRRRKYJN-UHFFFAOYSA-N
XLogP5.53
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144540978
7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123329306
N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283046
N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 140616543
N-[5-(benzylcarbamoyl)-2-fluorophenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 123779171
N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78051287
N-[5-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291184
N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283528
7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283095
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 172721886
N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate (CID 71283111) is methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate is COC(=O)c1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCc5ccc(F)c(F)c5)ccc4F)cnc3c2)cc1F.
What is the InChIKey of methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate?
The InChIKey is FGUVCYRRRRKYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F4N4O4/c1-42-30(41)20-5-3-17(11-23(20)33)18-8-9-38-26(15-35-27(38)13-18)29(40)37-25-12-19(4-7-22(25)32)28(39)36-14-16-2-6-21(31)24(34)10-16/h2-13,15H,14H2,1H3,(H,36,39)(H,37,40).
What are the key properties of methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate?
methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate has a molecular weight of 576.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate is sourced from PubChem (CID 71283111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).