4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine

C18H16ClF2N3O — CID 17026136

IUPAC4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2cc(C(F)(F)Cl)c3c(C4CC4)nn(C)c3n2)c1
InChIInChI=1S/C18H16ClF2N3O/c1-24-17-15(16(23-24)10-6-7-10)13(18(19,20)21)9-14(22-17)11-4-3-5-12(8-11)25-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeySJIQOYMDJUKNTB-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.81
Rot. Bonds4

About 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine

4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine (PubChem CID 17026136) has the molecular formula C18H16ClF2N3O and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine
PubChem CID17026136
Molecular FormulaC18H16ClF2N3O
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2cc(C(F)(F)Cl)c3c(C4CC4)nn(C)c3n2)c1
InChIInChI=1S/C18H16ClF2N3O/c1-24-17-15(16(23-24)10-6-7-10)13(18(19,20)21)9-14(22-17)11-4-3-5-12(8-11)25-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeySJIQOYMDJUKNTB-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine (CID 17026136) is 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine is COc1cccc(-c2cc(C(F)(F)Cl)c3c(C4CC4)nn(C)c3n2)c1.
What is the InChIKey of 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine?
The InChIKey is SJIQOYMDJUKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O/c1-24-17-15(16(23-24)10-6-7-10)13(18(19,20)21)9-14(22-17)11-4-3-5-12(8-11)25-2/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine?
4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine has a molecular weight of 363.80 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17026136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).