[3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol

C27H21F3N4O2 — CID 123173790

IUPAC[3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1ccccc1C(c1cccc(C(O)c2ncccc2C(F)(F)F)c1)n1ncc2cccnc21
InChIInChI=1S/C27H21F3N4O2/c1-36-22-12-3-2-10-20(22)24(34-26-19(16-33-34)9-5-14-32-26)17-7-4-8-18(15-17)25(35)23-21(27(28,29)30)11-6-13-31-23/h2-16,24-25,35H,1H3
InChIKeyQDFAVEMXTWQZIM-UHFFFAOYSA-N
MW490.49 g/mol
LogP5.57
Rot. Bonds6

About [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol

[3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 123173790) has the molecular formula C27H21F3N4O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID123173790
Molecular FormulaC27H21F3N4O2
Molecular Weight490.49 g/mol
Exact Mass490.16
IUPAC Name[3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1ccccc1C(c1cccc(C(O)c2ncccc2C(F)(F)F)c1)n1ncc2cccnc21
InChIInChI=1S/C27H21F3N4O2/c1-36-22-12-3-2-10-20(22)24(34-26-19(16-33-34)9-5-14-32-26)17-7-4-8-18(15-17)25(35)23-21(27(28,29)30)11-6-13-31-23/h2-16,24-25,35H,1H3
InChIKeyQDFAVEMXTWQZIM-UHFFFAOYSA-N
XLogP5.57
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol with MolForge

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Related Compounds

(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 125145322
2-(2-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 78018930
1-[(S)-(8-methoxyquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 71144811
(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
CID 114053617
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644854
1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
CID 114053795
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 82792775
(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanol
CID 62789626
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol (CID 123173790) is [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol is COc1ccccc1C(c1cccc(C(O)c2ncccc2C(F)(F)F)c1)n1ncc2cccnc21.
What is the InChIKey of [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is QDFAVEMXTWQZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O2/c1-36-22-12-3-2-10-20(22)24(34-26-19(16-33-34)9-5-14-32-26)17-7-4-8-18(15-17)25(35)23-21(27(28,29)30)11-6-13-31-23/h2-16,24-25,35H,1H3.
What are the key properties of [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
[3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 490.49 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)-pyrazolo[5,4-b]pyridin-1-ylmethyl]phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 123173790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).