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

C18H14F3N5 — CID 29090216

IUPAC4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C18H14F3N5/c1-10-16-12(17(20)21)7-14(11-8-22-25(2)9-11)23-18(16)26(24-10)15-6-4-3-5-13(15)19/h3-9,17H,1-2H3
InChIKeyVVPFHTZXGZFGNC-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.21
Rot. Bonds3

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

4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine (PubChem CID 29090216) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
PubChem CID29090216
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C18H14F3N5/c1-10-16-12(17(20)21)7-14(11-8-22-25(2)9-11)23-18(16)26(24-10)15-6-4-3-5-13(15)19/h3-9,17H,1-2H3
InChIKeyVVPFHTZXGZFGNC-UHFFFAOYSA-N
XLogP4.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine (CID 29090216) is 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is VVPFHTZXGZFGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c1-10-16-12(17(20)21)7-14(11-8-22-25(2)9-11)23-18(16)26(24-10)15-6-4-3-5-13(15)19/h3-9,17H,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 357.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).