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

C20H19FN4 — CID 155399979

IUPAC6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCC1=C(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)C=CCN1
InChIInChI=1S/C20H19FN4/c1-13-8-15(5-6-18(13)21)17-9-20-19(23-10-17)11-24-25(20)12-16-4-3-7-22-14(16)2/h3-6,8-11,22H,7,12H2,1-2H3
InChIKeyBPYZSMGOGLBAKC-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.98
Rot. Bonds3

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

6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155399979) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155399979
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCC1=C(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)C=CCN1
InChIInChI=1S/C20H19FN4/c1-13-8-15(5-6-18(13)21)17-9-20-19(23-10-17)11-24-25(20)12-16-4-3-7-22-14(16)2/h3-6,8-11,22H,7,12H2,1-2H3
InChIKeyBPYZSMGOGLBAKC-UHFFFAOYSA-N
XLogP3.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155399979) is 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine is CC1=C(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)C=CCN1.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is BPYZSMGOGLBAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c1-13-8-15(5-6-18(13)21)17-9-20-19(23-10-17)11-24-25(20)12-16-4-3-7-22-14(16)2/h3-6,8-11,22H,7,12H2,1-2H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine?
6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 334.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).