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

C23H22F4N4O3 — CID 155727448

IUPAC4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C(=O)NC(C)C(F)F
InChIInChI=1S/C23H22F4N4O3/c1-12(20(24)25)30-21(32)19-16(33-4)7-13(8-17(19)34-22(26)27)15-10-29-18-9-14(5-6-31(15)18)23(2,3)11-28/h5-10,12,20,22H,1-4H3,(H,30,32)
InChIKeyUDKKDKCKETUJTG-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.80
Rot. Bonds8

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

4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide (PubChem CID 155727448) has the molecular formula C23H22F4N4O3 and a molecular weight of 478.45 g/mol. Its IUPAC name is 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide
PubChem CID155727448
Molecular FormulaC23H22F4N4O3
Molecular Weight478.45 g/mol
Exact Mass478.16
IUPAC Name4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C(=O)NC(C)C(F)F
InChIInChI=1S/C23H22F4N4O3/c1-12(20(24)25)30-21(32)19-16(33-4)7-13(8-17(19)34-22(26)27)15-10-29-18-9-14(5-6-31(15)18)23(2,3)11-28/h5-10,12,20,22H,1-4H3,(H,30,32)
InChIKeyUDKKDKCKETUJTG-UHFFFAOYSA-N
XLogP4.80
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide with MolForge

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Related Compounds

4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzoic acid
CID 155349483
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349441
2-[3-[4-(3-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 167627656
2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 155340552
2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 174364506
methyl 2-cyano-2-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]propanoate
CID 167642854
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 166009657
4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxybenzoic acid;4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxybenzoic acid;methyl 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxybenzoate
CID 167662104
2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile
CID 155349593
2-cyclopropyl-1-[4-[7-[(1S)-1-cyclopropyl-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167621196
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 155727737

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide?
The IUPAC name of 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide (CID 155727448) is 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide.
What is the SMILES notation for 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide?
The canonical SMILES for 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide is COc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C(=O)NC(C)C(F)F.
What is the InChIKey of 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide?
The InChIKey is UDKKDKCKETUJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3/c1-12(20(24)25)30-21(32)19-16(33-4)7-13(8-17(19)34-22(26)27)15-10-29-18-9-14(5-6-31(15)18)23(2,3)11-28/h5-10,12,20,22H,1-4H3,(H,30,32).
What are the key properties of 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide?
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide has a molecular weight of 478.45 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide is sourced from PubChem (CID 155727448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).