4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine

C19H16F3N5 — CID 29090661

IUPAC4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12
InChIInChI=1S/C19H16F3N5/c1-10-17-14(18(21)22)8-16(15-9-23-26(3)11(15)2)24-19(17)27(25-10)13-6-4-12(20)5-7-13/h4-9,18H,1-3H3
InChIKeyHGMPTSBCMKZFIO-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.51
Rot. Bonds3

About 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine

4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29090661) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29090661
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12
InChIInChI=1S/C19H16F3N5/c1-10-17-14(18(21)22)8-16(15-9-23-26(3)11(15)2)24-19(17)27(25-10)13-6-4-12(20)5-7-13/h4-9,18H,1-3H3
InChIKeyHGMPTSBCMKZFIO-UHFFFAOYSA-N
XLogP4.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (CID 29090661) is 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is HGMPTSBCMKZFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-10-17-14(18(21)22)8-16(15-9-23-26(3)11(15)2)24-19(17)27(25-10)13-6-4-12(20)5-7-13/h4-9,18H,1-3H3.
What are the key properties of 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 371.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).