5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide

C26H24F2N6O4 — CID 146283376

IUPAC5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ncc3cc(-c4c(F)c(OC)cc(OC)c4F)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C26H24F2N6O4/c1-29-26(35)16-5-4-14(12-30-16)24-31-13-15-10-17(20-21(27)18(36-2)11-19(37-3)22(20)28)32-25(23(15)33-24)34-6-8-38-9-7-34/h4-5,10-13H,6-9H2,1-3H3,(H,29,35)
InChIKeyWGDMADWMJIPJHH-UHFFFAOYSA-N
MW522.51 g/mol
LogP3.25
Rot. Bonds6

About 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide

5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 146283376) has the molecular formula C26H24F2N6O4 and a molecular weight of 522.51 g/mol. Its IUPAC name is 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID146283376
Molecular FormulaC26H24F2N6O4
Molecular Weight522.51 g/mol
Exact Mass522.18
IUPAC Name5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ncc3cc(-c4c(F)c(OC)cc(OC)c4F)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C26H24F2N6O4/c1-29-26(35)16-5-4-14(12-30-16)24-31-13-15-10-17(20-21(27)18(36-2)11-19(37-3)22(20)28)32-25(23(15)33-24)34-6-8-38-9-7-34/h4-5,10-13H,6-9H2,1-3H3,(H,29,35)
InChIKeyWGDMADWMJIPJHH-UHFFFAOYSA-N
XLogP3.25
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide (CID 146283376) is 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ncc3cc(-c4c(F)c(OC)cc(OC)c4F)nc(N4CCOCC4)c3n2)cn1.
What is the InChIKey of 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is WGDMADWMJIPJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O4/c1-29-26(35)16-5-4-14(12-30-16)24-31-13-15-10-17(20-21(27)18(36-2)11-19(37-3)22(20)28)32-25(23(15)33-24)34-6-8-38-9-7-34/h4-5,10-13H,6-9H2,1-3H3,(H,29,35).
What are the key properties of 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 522.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 146283376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).