[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid

C25H22F2N4O4 — CID 90114108

IUPAC[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid
SMILESCc1nc2c(OCc3ccccc3)cccn2c1C(=O)NC(CNC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C25H22F2N4O4/c1-15-22(24(32)30-20(13-28-25(33)34)17-9-10-18(26)19(27)12-17)31-11-5-8-21(23(31)29-15)35-14-16-6-3-2-4-7-16/h2-12,20,28H,13-14H2,1H3,(H,30,32)(H,33,34)
InChIKeyKKBZNOMGARWAPP-UHFFFAOYSA-N
MW480.47 g/mol
LogP4.24
Rot. Bonds8

About [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid

[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid (PubChem CID 90114108) has the molecular formula C25H22F2N4O4 and a molecular weight of 480.47 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid
PubChem CID90114108
Molecular FormulaC25H22F2N4O4
Molecular Weight480.47 g/mol
Exact Mass480.16
IUPAC Name[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid
SMILESCc1nc2c(OCc3ccccc3)cccn2c1C(=O)NC(CNC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C25H22F2N4O4/c1-15-22(24(32)30-20(13-28-25(33)34)17-9-10-18(26)19(27)12-17)31-11-5-8-21(23(31)29-15)35-14-16-6-3-2-4-7-16/h2-12,20,28H,13-14H2,1H3,(H,30,32)(H,33,34)
InChIKeyKKBZNOMGARWAPP-UHFFFAOYSA-N
XLogP4.24
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid
CID 90114317
benzyl N-[3-(3,4-difluorophenoxy)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]carbamate
CID 90135978
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090948
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 86713410
8-[(2-fluoro-6-methylphenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090393
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717952
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717950
8-[(2-fluoro-6-methylphenyl)methoxy]-2-methyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144617690
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90091301
3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid
CID 90091308
tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate
CID 149224183

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid?
The IUPAC name of [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid (CID 90114108) is [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid is Cc1nc2c(OCc3ccccc3)cccn2c1C(=O)NC(CNC(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid?
The InChIKey is KKBZNOMGARWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O4/c1-15-22(24(32)30-20(13-28-25(33)34)17-9-10-18(26)19(27)12-17)31-11-5-8-21(23(31)29-15)35-14-16-6-3-2-4-7-16/h2-12,20,28H,13-14H2,1H3,(H,30,32)(H,33,34).
What are the key properties of [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid?
[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid has a molecular weight of 480.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid is sourced from PubChem (CID 90114108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).