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

C17H13F2N5 — CID 121339192

IUPAC1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1
InChIInChI=1S/C17H13F2N5/c1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19/h2-9H,10H2,1H3
InChIKeyWPXFXGBVSGDIRL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.16
Rot. Bonds3

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

1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (PubChem CID 121339192) has the molecular formula C17H13F2N5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
PubChem CID121339192
Molecular FormulaC17H13F2N5
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1
InChIInChI=1S/C17H13F2N5/c1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19/h2-9H,10H2,1H3
InChIKeyWPXFXGBVSGDIRL-UHFFFAOYSA-N
XLogP3.16
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (CID 121339192) is 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is WPXFXGBVSGDIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5/c1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19/h2-9H,10H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 325.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 121339192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).