4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C26H26FN9O2 — CID 118209446

IUPAC4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(F)c1CN1CCOC(c2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)C1
InChIInChI=1S/C26H26FN9O2/c1-34-23(7-10-29-34)31-26-28-9-6-20(30-26)17-8-11-36-24(14-17)32-33-25(36)22-16-35(12-13-38-22)15-18-19(27)4-3-5-21(18)37-2/h3-11,14,22H,12-13,15-16H2,1-2H3,(H,28,30,31)
InChIKeyXNSYGDXQYQDZPW-UHFFFAOYSA-N
MW515.55 g/mol
LogP3.38
Rot. Bonds7

About 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 118209446) has the molecular formula C26H26FN9O2 and a molecular weight of 515.55 g/mol. Its IUPAC name is 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID118209446
Molecular FormulaC26H26FN9O2
Molecular Weight515.55 g/mol
Exact Mass515.22
IUPAC Name4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(F)c1CN1CCOC(c2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)C1
InChIInChI=1S/C26H26FN9O2/c1-34-23(7-10-29-34)31-26-28-9-6-20(30-26)17-8-11-36-24(14-17)32-33-25(36)22-16-35(12-13-38-22)15-18-19(27)4-3-5-21(18)37-2/h3-11,14,22H,12-13,15-16H2,1-2H3,(H,28,30,31)
InChIKeyXNSYGDXQYQDZPW-UHFFFAOYSA-N
XLogP3.38
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 118209446) is 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is COc1cccc(F)c1CN1CCOC(c2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)ccn23)C1.
What is the InChIKey of 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is XNSYGDXQYQDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN9O2/c1-34-23(7-10-29-34)31-26-28-9-6-20(30-26)17-8-11-36-24(14-17)32-33-25(36)22-16-35(12-13-38-22)15-18-19(27)4-3-5-21(18)37-2/h3-11,14,22H,12-13,15-16H2,1-2H3,(H,28,30,31).
What are the key properties of 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 515.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(2-fluoro-6-methoxyphenyl)methyl]morpholin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118209446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).