1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one

C22H21F2N5O3 — CID 161366855

IUPAC1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one
SMILESCCCC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)cc1OC(F)F
InChIInChI=1S/C22H21F2N5O3/c1-4-5-17(30)20-18(31-3)7-15(8-19(20)32-22(23)24)29-12-26-16-6-13(9-25-21(16)29)14-10-27-28(2)11-14/h6-12,22H,4-5H2,1-3H3
InChIKeyVPXUFSXIHTZSDE-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.41
Rot. Bonds8

About 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one

1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one (PubChem CID 161366855) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one
PubChem CID161366855
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one
SMILESCCCC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)cc1OC(F)F
InChIInChI=1S/C22H21F2N5O3/c1-4-5-17(30)20-18(31-3)7-15(8-19(20)32-22(23)24)29-12-26-16-6-13(9-25-21(16)29)14-10-27-28(2)11-14/h6-12,22H,4-5H2,1-3H3
InChIKeyVPXUFSXIHTZSDE-UHFFFAOYSA-N
XLogP4.41
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-Dimethoxy-4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)phenyl)-5-ethyl-1,3,4-oxadiazole
CID 164039567
N-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxybenzamide
CID 150136550
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
CID 151447433
[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 56676047
2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-N-[1-(difluoromethyl)pyrazol-4-yl]acetamide
CID 121265713
N-tert-butyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide
CID 149747957
N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
CID 150469093
4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-methylbenzamide
CID 151146855
N-cyclopropyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-methylbenzamide
CID 151207059
N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide
CID 151840140
4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide
CID 151913917
N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide
CID 151971184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one (CID 161366855) is 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one is CCCC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)cc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one?
The InChIKey is VPXUFSXIHTZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-4-5-17(30)20-18(31-3)7-15(8-19(20)32-22(23)24)29-12-26-16-6-13(9-25-21(16)29)14-10-27-28(2)11-14/h6-12,22H,4-5H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one?
1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one has a molecular weight of 441.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]butan-1-one is sourced from PubChem (CID 161366855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).