4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

C21H22F2N4O4 — CID 146273253

IUPAC4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OCCN)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C21H22F2N4O4/c1-29-16-8-12(9-17(31-21(22)23)19(16)20(28)26-13-2-3-13)15-11-25-18-10-14(30-7-5-24)4-6-27(15)18/h4,6,8-11,13,21H,2-3,5,7,24H2,1H3,(H,26,28)
InChIKeyCFTSVZPFFIQXBU-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.84
Rot. Bonds9

About 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 146273253) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID146273253
Molecular FormulaC21H22F2N4O4
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC Name4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OCCN)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C21H22F2N4O4/c1-29-16-8-12(9-17(31-21(22)23)19(16)20(28)26-13-2-3-13)15-11-25-18-10-14(30-7-5-24)4-6-27(15)18/h4,6,8-11,13,21H,2-3,5,7,24H2,1H3,(H,26,28)
InChIKeyCFTSVZPFFIQXBU-UHFFFAOYSA-N
XLogP2.84
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen
CID 167590110
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2,2-dimethylpropoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146275278
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
CID 146273414
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(N-methylanilino)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275328
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275382
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273345
4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 167240297
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273517
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-fluorobenzamide
CID 146273439

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (CID 146273253) is 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2cnc3cc(OCCN)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is CFTSVZPFFIQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4/c1-29-16-8-12(9-17(31-21(22)23)19(16)20(28)26-13-2-3-13)15-11-25-18-10-14(30-7-5-24)4-6-27(15)18/h4,6,8-11,13,21H,2-3,5,7,24H2,1H3,(H,26,28).
What are the key properties of 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 432.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 146273253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).