N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

C25H20F2N6O — CID 67469564

IUPACN-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4nc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1
InChIInChI=1S/C25H20F2N6O/c1-15-12-29-25(19-11-17(26)5-8-20(19)27)31-24(15)30-21-9-10-28-22-14-33(32-23(21)22)13-16-3-6-18(34-2)7-4-16/h3-12,14H,13H2,1-2H3,(H,29,30,31)
InChIKeyVNTRKKLYLOOWKC-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.28
Rot. Bonds6

About N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469564) has the molecular formula C25H20F2N6O and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469564
Molecular FormulaC25H20F2N6O
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC NameN-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4nc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1
InChIInChI=1S/C25H20F2N6O/c1-15-12-29-25(19-11-17(26)5-8-20(19)27)31-24(15)30-21-9-10-28-22-14-33(32-23(21)22)13-16-3-6-18(34-2)7-4-16/h3-12,14H,13H2,1-2H3,(H,29,30,31)
InChIKeyVNTRKKLYLOOWKC-UHFFFAOYSA-N
XLogP5.28
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67469564) is N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2cc3nccc(Nc4nc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is VNTRKKLYLOOWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O/c1-15-12-29-25(19-11-17(26)5-8-20(19)27)31-24(15)30-21-9-10-28-22-14-33(32-23(21)22)13-16-3-6-18(34-2)7-4-16/h3-12,14H,13H2,1-2H3,(H,29,30,31).
What are the key properties of N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 458.47 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-5-methylpyrimidin-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).