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

C19H17F2N5 — CID 19497766

IUPAC1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C19H17F2N5/c1-12-17-15(18(20)21)8-16(14-9-22-25(2)11-14)23-19(17)26(24-12)10-13-6-4-3-5-7-13/h3-9,11,18H,10H2,1-2H3
InChIKeyXMJYCUBTFUWALE-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.13
Rot. Bonds4

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

1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine (PubChem CID 19497766) has the molecular formula C19H17F2N5 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
PubChem CID19497766
Molecular FormulaC19H17F2N5
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C19H17F2N5/c1-12-17-15(18(20)21)8-16(14-9-22-25(2)11-14)23-19(17)26(24-12)10-13-6-4-3-5-7-13/h3-9,11,18H,10H2,1-2H3
InChIKeyXMJYCUBTFUWALE-UHFFFAOYSA-N
XLogP4.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine (CID 19497766) is 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12.
What is the InChIKey of 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is XMJYCUBTFUWALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5/c1-12-17-15(18(20)21)8-16(14-9-22-25(2)11-14)23-19(17)26(24-12)10-13-6-4-3-5-7-13/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine?
1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 353.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).