N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

C26H23FN6O — CID 67469587

IUPACN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4cc(-c5nc(C)ccc5F)ncc4C)c3n2)cc1
InChIInChI=1S/C26H23FN6O/c1-16-13-29-23(25-20(27)9-4-17(2)30-25)12-22(16)31-21-10-11-28-24-15-33(32-26(21)24)14-18-5-7-19(34-3)8-6-18/h4-13,15H,14H2,1-3H3,(H,29,31)
InChIKeyVBWBKNWRFKZQQX-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.44
Rot. Bonds6

About N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469587) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469587
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4cc(-c5nc(C)ccc5F)ncc4C)c3n2)cc1
InChIInChI=1S/C26H23FN6O/c1-16-13-29-23(25-20(27)9-4-17(2)30-25)12-22(16)31-21-10-11-28-24-15-33(32-26(21)24)14-18-5-7-19(34-3)8-6-18/h4-13,15H,14H2,1-3H3,(H,29,31)
InChIKeyVBWBKNWRFKZQQX-UHFFFAOYSA-N
XLogP5.44
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67469587) is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2cc3nccc(Nc4cc(-c5nc(C)ccc5F)ncc4C)c3n2)cc1.
What is the InChIKey of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is VBWBKNWRFKZQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-16-13-29-23(25-20(27)9-4-17(2)30-25)12-22(16)31-21-10-11-28-24-15-33(32-26(21)24)14-18-5-7-19(34-3)8-6-18/h4-13,15H,14H2,1-3H3,(H,29,31).
What are the key properties of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 454.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).