6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine

C19H14F3N3S — CID 155388704

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C19H14F3N3S/c1-11-2-4-14(26-11)10-25-18-7-13(8-23-17(18)9-24-25)12-3-5-16(20)15(6-12)19(21)22/h2-9,19H,10H2,1H3
InChIKeyDBCXKPSSNTUGKT-UHFFFAOYSA-N
MW373.40 g/mol
LogP5.59
Rot. Bonds4

About 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388704) has the molecular formula C19H14F3N3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388704
Molecular FormulaC19H14F3N3S
Molecular Weight373.40 g/mol
Exact Mass373.09
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C19H14F3N3S/c1-11-2-4-14(26-11)10-25-18-7-13(8-23-17(18)9-24-25)12-3-5-16(20)15(6-12)19(21)22/h2-9,19H,10H2,1H3
InChIKeyDBCXKPSSNTUGKT-UHFFFAOYSA-N
XLogP5.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine with MolForge

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Related Compounds

3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
US10377753, Example 130
CID 124175977
US10377753, Example 438
CID 124176291
1-methyl-3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
CID 1480373
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
3-(4-Methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
7-(1-Methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164616547
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
US10377753, Example 181
CID 124176036
6-(4-Fluoro-3-methyl-phenyl)-1-[(1-methylpyrazol-4-
CID 124176085
US10377753, Example 639
CID 124176489

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155388704) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine is Cc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is DBCXKPSSNTUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3S/c1-11-2-4-14(26-11)10-25-18-7-13(8-23-17(18)9-24-25)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-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 373.40 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-methylthiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).