6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine

C19H16F2N4 — CID 155399966

IUPAC6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCC1=C(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)C=CCN1
InChIInChI=1S/C19H16F2N4/c1-12-14(3-2-6-22-12)11-25-19-8-15(9-23-18(19)10-24-25)13-4-5-16(20)17(21)7-13/h2-5,7-10,22H,6,11H2,1H3
InChIKeyGWGXCJJHTQZXHV-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.81
Rot. Bonds3

About 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine

6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155399966) has the molecular formula C19H16F2N4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155399966
Molecular FormulaC19H16F2N4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCC1=C(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)C=CCN1
InChIInChI=1S/C19H16F2N4/c1-12-14(3-2-6-22-12)11-25-19-8-15(9-23-18(19)10-24-25)13-4-5-16(20)17(21)7-13/h2-5,7-10,22H,6,11H2,1H3
InChIKeyGWGXCJJHTQZXHV-UHFFFAOYSA-N
XLogP3.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155399966) is 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine is CC1=C(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)C=CCN1.
What is the InChIKey of 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is GWGXCJJHTQZXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4/c1-12-14(3-2-6-22-12)11-25-19-8-15(9-23-18(19)10-24-25)13-4-5-16(20)17(21)7-13/h2-5,7-10,22H,6,11H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 338.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).