N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide

C25H26FN7O4 — CID 59137290

IUPACN-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(F)cc3)nc2-c2cnc(N)c(OC)c2)n1
InChIInChI=1S/C25H26FN7O4/c1-14(31-20(34)13-35-2)11-30-25-28-9-8-18(32-25)22-21(16-10-19(36-3)23(27)29-12-16)33-24(37-22)15-4-6-17(26)7-5-15/h4-10,12,14H,11,13H2,1-3H3,(H2,27,29)(H,31,34)(H,28,30,32)/t14-/m0/s1
InChIKeyDXPBEVRBWYUDIH-AWEZNQCLSA-N
MW507.53 g/mol
LogP3.15
Rot. Bonds10

About N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide

N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide (PubChem CID 59137290) has the molecular formula C25H26FN7O4 and a molecular weight of 507.53 g/mol. Its IUPAC name is N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
PubChem CID59137290
Molecular FormulaC25H26FN7O4
Molecular Weight507.53 g/mol
Exact Mass507.20
IUPAC NameN-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(F)cc3)nc2-c2cnc(N)c(OC)c2)n1
InChIInChI=1S/C25H26FN7O4/c1-14(31-20(34)13-35-2)11-30-25-28-9-8-18(32-25)22-21(16-10-19(36-3)23(27)29-12-16)33-24(37-22)15-4-6-17(26)7-5-15/h4-10,12,14H,11,13H2,1-3H3,(H2,27,29)(H,31,34)(H,28,30,32)/t14-/m0/s1
InChIKeyDXPBEVRBWYUDIH-AWEZNQCLSA-N
XLogP3.15
TPSA150.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide with MolForge

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Related Compounds

Pyrimidine-4-carboxamide, 26
CID 11220580
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
Pyrimidine-4-carboxamide, 28
CID 44520987
4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidin-4-ol
CID 44346053
2-(4-{[2-(4-Methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrimidine
CID 16188772
4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylamino)-pyridin-4-yl]-oxazol-2-yl}-1-methyl-piperidin-4-ol
CID 9804858
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxazolo[4,5-b]pyridin-2-yl-2-oxo-ethyl)-acetamide
CID 10577682
(2-Methoxy-6-oxazol-5-yl-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11631233

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide (CID 59137290) is N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(F)cc3)nc2-c2cnc(N)c(OC)c2)n1.
What is the InChIKey of N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
The InChIKey is DXPBEVRBWYUDIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H26FN7O4/c1-14(31-20(34)13-35-2)11-30-25-28-9-8-18(32-25)22-21(16-10-19(36-3)23(27)29-12-16)33-24(37-22)15-4-6-17(26)7-5-15/h4-10,12,14H,11,13H2,1-3H3,(H2,27,29)(H,31,34)(H,28,30,32)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide has a molecular weight of 507.53 g/mol, XLogP of 3.15, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 59137290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).