4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine

C22H19F2N3O2 — CID 29090055

IUPAC4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cc1
InChIInChI=1S/C22H19F2N3O2/c1-13-20-18(21(23)24)12-19(14-4-8-16(28-2)9-5-14)25-22(20)27(26-13)15-6-10-17(29-3)11-7-15/h4-12,21H,1-3H3
InChIKeyIEBLTJYHEXYTSL-UHFFFAOYSA-N
MW395.41 g/mol
LogP5.35
Rot. Bonds5

About 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine

4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29090055) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29090055
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cc1
InChIInChI=1S/C22H19F2N3O2/c1-13-20-18(21(23)24)12-19(14-4-8-16(28-2)9-5-14)25-22(20)27(26-13)15-6-10-17(29-3)11-7-15/h4-12,21H,1-3H3
InChIKeyIEBLTJYHEXYTSL-UHFFFAOYSA-N
XLogP5.35
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine (CID 29090055) is 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is IEBLTJYHEXYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13-20-18(21(23)24)12-19(14-4-8-16(28-2)9-5-14)25-22(20)27(26-13)15-6-10-17(29-3)11-7-15/h4-12,21H,1-3H3.
What are the key properties of 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 395.41 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).