6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine

C18H14F3N5 — CID 155388658

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCn1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C18H14F3N5/c1-25-5-4-13(24-25)10-26-17-7-12(8-22-16(17)9-23-26)11-2-3-15(19)14(6-11)18(20)21/h2-9,18H,10H2,1H3
InChIKeyHCHQTHIEDKCODW-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.96
Rot. Bonds4

About 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388658) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388658
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCn1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C18H14F3N5/c1-25-5-4-13(24-25)10-26-17-7-12(8-22-16(17)9-23-26)11-2-3-15(19)14(6-11)18(20)21/h2-9,18H,10H2,1H3
InChIKeyHCHQTHIEDKCODW-UHFFFAOYSA-N
XLogP3.96
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155388658) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine is Cn1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is HCHQTHIEDKCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c1-25-5-4-13(24-25)10-26-17-7-12(8-22-16(17)9-23-26)11-2-3-15(19)14(6-11)18(20)21/h2-9,18H,10H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 357.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).