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

C19H14F3N5 — CID 155388700

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)nn1
InChIInChI=1S/C19H14F3N5/c1-11-2-4-14(26-25-11)10-27-18-7-13(8-23-17(18)9-24-27)12-3-5-16(20)15(6-12)19(21)22/h2-9,19H,10H2,1H3
InChIKeyJACBVLSQNBPDRA-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.32
Rot. Bonds4

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388700) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388700
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)nn1
InChIInChI=1S/C19H14F3N5/c1-11-2-4-14(26-25-11)10-27-18-7-13(8-23-17(18)9-24-27)12-3-5-16(20)15(6-12)19(21)22/h2-9,19H,10H2,1H3
InChIKeyJACBVLSQNBPDRA-UHFFFAOYSA-N
XLogP4.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.32
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-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155388700) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine is Cc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)nn1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is JACBVLSQNBPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c1-11-2-4-14(26-25-11)10-27-18-7-13(8-23-17(18)9-24-27)12-3-5-16(20)15(6-12)19(21)22/h2-9,19H,10H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 369.35 g/mol, XLogP of 4.32, 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-[(6-methylpyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).