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

C26H21F2N5O — CID 67469557

IUPACN-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4cc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1
InChIInChI=1S/C26H21F2N5O/c1-16-13-30-24(20-11-18(27)5-8-21(20)28)12-23(16)31-22-9-10-29-25-15-33(32-26(22)25)14-17-3-6-19(34-2)7-4-17/h3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyNWQPDZKJGJOUKO-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.88
Rot. Bonds6

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

N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469557) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469557
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC NameN-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4cc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1
InChIInChI=1S/C26H21F2N5O/c1-16-13-30-24(20-11-18(27)5-8-21(20)28)12-23(16)31-22-9-10-29-25-15-33(32-26(22)25)14-17-3-6-19(34-2)7-4-17/h3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyNWQPDZKJGJOUKO-UHFFFAOYSA-N
XLogP5.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67469557) is N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2cc3nccc(Nc4cc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is NWQPDZKJGJOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O/c1-16-13-30-24(20-11-18(27)5-8-21(20)28)12-23(16)31-22-9-10-29-25-15-33(32-26(22)25)14-17-3-6-19(34-2)7-4-17/h3-13,15H,14H2,1-2H3,(H,30,31).
What are the key properties of N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 457.48 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).