2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C26H30F2N2O4 — CID 167688915

IUPAC2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
SMILESCCC(CC)(OC)c1ccn2c(-c3cc(OC)c(C(=O)CC4CC4)c(OC(F)F)c3)cnc2c1
InChIInChI=1S/C26H30F2N2O4/c1-5-26(6-2,33-4)18-9-10-30-19(15-29-23(30)14-18)17-12-21(32-3)24(20(31)11-16-7-8-16)22(13-17)34-25(27)28/h9-10,12-16,25H,5-8,11H2,1-4H3
InChIKeyWQAJHLJZUJOIQU-UHFFFAOYSA-N
MW472.53 g/mol
LogP6.26
Rot. Bonds11

About 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167688915) has the molecular formula C26H30F2N2O4 and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
PubChem CID167688915
Molecular FormulaC26H30F2N2O4
Molecular Weight472.53 g/mol
Exact Mass472.22
IUPAC Name2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
SMILESCCC(CC)(OC)c1ccn2c(-c3cc(OC)c(C(=O)CC4CC4)c(OC(F)F)c3)cnc2c1
InChIInChI=1S/C26H30F2N2O4/c1-5-26(6-2,33-4)18-9-10-30-19(15-29-23(30)14-18)17-12-21(32-3)24(20(31)11-16-7-8-16)22(13-17)34-25(27)28/h9-10,12-16,25H,5-8,11H2,1-4H3
InChIKeyWQAJHLJZUJOIQU-UHFFFAOYSA-N
XLogP6.26
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(2-hydroxybutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167584400
1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167631997
2-cyclopropyl-1-[4-[7-[(1S)-1-cyclopropyl-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167621196
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(2-isocyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167663154
methyl 2-cyano-2-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]propanoate
CID 167642854
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167591166
1-[4-[7-(2-aminopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone;2-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanamide;2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(2-isocyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167663153
1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167708674
3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-dimethylpropanenitrile
CID 167675422
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(dimethylamino)butoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167613118
1-[2-(difluoromethoxy)-4-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
CID 167626094
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167703173

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167688915) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is CCC(CC)(OC)c1ccn2c(-c3cc(OC)c(C(=O)CC4CC4)c(OC(F)F)c3)cnc2c1.
What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
The InChIKey is WQAJHLJZUJOIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O4/c1-5-26(6-2,33-4)18-9-10-30-19(15-29-23(30)14-18)17-12-21(32-3)24(20(31)11-16-7-8-16)22(13-17)34-25(27)28/h9-10,12-16,25H,5-8,11H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 472.53 g/mol, XLogP of 6.26, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167688915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).