methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate

C19H19F2N3O4 — CID 29090232

IUPACmethyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21
InChIInChI=1S/C19H19F2N3O4/c1-10-17-12(18(20)21)8-13(11-5-6-14(26-2)15(7-11)27-3)22-19(17)24(23-10)9-16(25)28-4/h5-8,18H,9H2,1-4H3
InChIKeyXHAZCQOMRVANQZ-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.53
Rot. Bonds6

About methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate

methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate (PubChem CID 29090232) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
PubChem CID29090232
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Namemethyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21
InChIInChI=1S/C19H19F2N3O4/c1-10-17-12(18(20)21)8-13(11-5-6-14(26-2)15(7-11)27-3)22-19(17)24(23-10)9-16(25)28-4/h5-8,18H,9H2,1-4H3
InChIKeyXHAZCQOMRVANQZ-UHFFFAOYSA-N
XLogP3.53
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-(difluoromethyl)-6-(4-ethylphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29091603
ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497159
N-(3-chloro-4-methoxyphenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501615
N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501817
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19497589
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 19501694
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 19501586
N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 19501596

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate (CID 29090232) is methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate is COC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
The InChIKey is XHAZCQOMRVANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-10-17-12(18(20)21)8-13(11-5-6-14(26-2)15(7-11)27-3)22-19(17)24(23-10)9-16(25)28-4/h5-8,18H,9H2,1-4H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate has a molecular weight of 391.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 29090232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).