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

C19H19F2N3O3 — CID 19497159

IUPACethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)cc3)nc21
InChIInChI=1S/C19H19F2N3O3/c1-4-27-16(25)10-24-19-17(11(2)23-24)14(18(20)21)9-15(22-19)12-5-7-13(26-3)8-6-12/h5-9,18H,4,10H2,1-3H3
InChIKeyQZTABUCHMQIWPV-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.92
Rot. Bonds6

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

ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate (PubChem CID 19497159) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
PubChem CID19497159
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Nameethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)cc3)nc21
InChIInChI=1S/C19H19F2N3O3/c1-4-27-16(25)10-24-19-17(11(2)23-24)14(18(20)21)9-15(22-19)12-5-7-13(26-3)8-6-12/h5-9,18H,4,10H2,1-3H3
InChIKeyQZTABUCHMQIWPV-UHFFFAOYSA-N
XLogP3.92
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(difluoromethyl)-6-(4-ethylphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29091603
methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29090232
4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090055
N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501817
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 19501694
N-(3-chloro-4-methoxyphenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501615
ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29090076
N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
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
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2346899
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
CID 19503507

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate (CID 19497159) is ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate is CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)cc3)nc21.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
The InChIKey is QZTABUCHMQIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-4-27-16(25)10-24-19-17(11(2)23-24)14(18(20)21)9-15(22-19)12-5-7-13(26-3)8-6-12/h5-9,18H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate?
ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate has a molecular weight of 375.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 19497159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).