5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine

C23H22F2N6O — CID 70811144

IUPAC5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCC(F)(F)C5)n4)cnc32)cc1
InChIInChI=1S/C23H22F2N6O/c1-15-19-9-17(20-11-26-12-21(28-20)30-8-7-23(24,25)14-30)10-27-22(19)31(29-15)13-16-3-5-18(32-2)6-4-16/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKeyOHEOWOJSLXYVKG-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.10
Rot. Bonds5

About 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine

5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 70811144) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine
PubChem CID70811144
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCC(F)(F)C5)n4)cnc32)cc1
InChIInChI=1S/C23H22F2N6O/c1-15-19-9-17(20-11-26-12-21(28-20)30-8-7-23(24,25)14-30)10-27-22(19)31(29-15)13-16-3-5-18(32-2)6-4-16/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKeyOHEOWOJSLXYVKG-UHFFFAOYSA-N
XLogP4.10
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine (CID 70811144) is 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine is COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCC(F)(F)C5)n4)cnc32)cc1.
What is the InChIKey of 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is OHEOWOJSLXYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-15-19-9-17(20-11-26-12-21(28-20)30-8-7-23(24,25)14-30)10-27-22(19)31(29-15)13-16-3-5-18(32-2)6-4-16/h3-6,9-12H,7-8,13-14H2,1-2H3.
What are the key properties of 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 436.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 70811144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).