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

C27H26F2N6O4 — CID 146283449

IUPAC5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ncc3cc(-c4c(F)c(OC)cc(OC)c4F)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C27H26F2N6O4/c1-4-30-27(36)17-6-5-15(13-31-17)25-32-14-16-11-18(21-22(28)19(37-2)12-20(38-3)23(21)29)33-26(24(16)34-25)35-7-9-39-10-8-35/h5-6,11-14H,4,7-10H2,1-3H3,(H,30,36)
InChIKeyMGUUEWWYICPRSD-UHFFFAOYSA-N
MW536.54 g/mol
LogP3.64
Rot. Bonds7

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

5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 146283449) has the molecular formula C27H26F2N6O4 and a molecular weight of 536.54 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-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
PubChem CID146283449
Molecular FormulaC27H26F2N6O4
Molecular Weight536.54 g/mol
Exact Mass536.20
IUPAC Name5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ncc3cc(-c4c(F)c(OC)cc(OC)c4F)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C27H26F2N6O4/c1-4-30-27(36)17-6-5-15(13-31-17)25-32-14-16-11-18(21-22(28)19(37-2)12-20(38-3)23(21)29)33-26(24(16)34-25)35-7-9-39-10-8-35/h5-6,11-14H,4,7-10H2,1-3H3,(H,30,36)
InChIKeyMGUUEWWYICPRSD-UHFFFAOYSA-N
XLogP3.64
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.54
LogP ≤ 53.64
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-ethylpyridine-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-ethylpyridine-2-carboxamide (CID 146283449) is 5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-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-ethylpyridine-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-ethylpyridine-2-carboxamide is CCNC(=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-ethylpyridine-2-carboxamide?
The InChIKey is MGUUEWWYICPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O4/c1-4-30-27(36)17-6-5-15(13-31-17)25-32-14-16-11-18(21-22(28)19(37-2)12-20(38-3)23(21)29)33-26(24(16)34-25)35-7-9-39-10-8-35/h5-6,11-14H,4,7-10H2,1-3H3,(H,30,36).
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-ethylpyridine-2-carboxamide?
5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 536.54 g/mol, XLogP of 3.64, 7 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-ethylpyridine-2-carboxamide is sourced from PubChem (CID 146283449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).