6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine

C20H14ClF2N3 — CID 19497736

IUPAC6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12
InChIInChI=1S/C20H14ClF2N3/c1-12-18-16(19(22)23)11-17(13-7-9-14(21)10-8-13)24-20(18)26(25-12)15-5-3-2-4-6-15/h2-11,19H,1H3
InChIKeyWRPRQQJLBVGBPN-UHFFFAOYSA-N
MW369.80 g/mol
LogP5.99
Rot. Bonds3

About 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine

6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 19497736) has the molecular formula C20H14ClF2N3 and a molecular weight of 369.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID19497736
Molecular FormulaC20H14ClF2N3
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12
InChIInChI=1S/C20H14ClF2N3/c1-12-18-16(19(22)23)11-17(13-7-9-14(21)10-8-13)24-20(18)26(25-12)15-5-3-2-4-6-15/h2-11,19H,1H3
InChIKeyWRPRQQJLBVGBPN-UHFFFAOYSA-N
XLogP5.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine (CID 19497736) is 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12.
What is the InChIKey of 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is WRPRQQJLBVGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3/c1-12-18-16(19(22)23)11-17(13-7-9-14(21)10-8-13)24-20(18)26(25-12)15-5-3-2-4-6-15/h2-11,19H,1H3.
What are the key properties of 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 369.80 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).