N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C24H25F2N3O4 — CID 166009657

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C(C)=O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H25F2N3O4/c1-13(30)24(2,3)15-7-8-29-17(12-27-20(29)11-15)14-9-18(32-4)21(19(10-14)33-23(25)26)22(31)28-16-5-6-16/h7-12,16,23H,5-6H2,1-4H3,(H,28,31)
InChIKeyLCEKQUWEVYHDPX-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.37
Rot. Bonds8

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 166009657) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID166009657
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C(C)=O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H25F2N3O4/c1-13(30)24(2,3)15-7-8-29-17(12-27-20(29)11-15)14-9-18(32-4)21(19(10-14)33-23(25)26)22(31)28-16-5-6-16/h7-12,16,23H,5-6H2,1-4H3,(H,28,31)
InChIKeyLCEKQUWEVYHDPX-UHFFFAOYSA-N
XLogP4.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349441
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2,2-dimethylpropoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146275278
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-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 155727400
4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146273253
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 154636406
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(1-hydroxycyclobutyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 155727602
4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine
CID 162180255
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
tert-butyl 3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-hydroxymethyl]-3-fluoroazetidine-1-carboxylate
CID 146273335
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-morpholin-4-ylpropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273385

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 166009657) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(C(C)(C)C(C)=O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is LCEKQUWEVYHDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-13(30)24(2,3)15-7-8-29-17(12-27-20(29)11-15)14-9-18(32-4)21(19(10-14)33-23(25)26)22(31)28-16-5-6-16/h7-12,16,23H,5-6H2,1-4H3,(H,28,31).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 457.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 166009657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).