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

C26H26F3N7O4 — CID 59137558

About N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide (PubChem CID 59137558) has the molecular formula C26H26F3N7O4 and a molecular weight of 557.53 g/mol. Its IUPAC name is N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
• PubChem CID: 59137558
• Molecular Formula: C26H26F3N7O4
• Molecular Weight: 557.53 g/mol
• Exact Mass: 557.20
• IUPAC Name: N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
• SMILES: COCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)c2)n1
• InChI: InChI=1S/C26H26F3N7O4/c1-14(34-20(37)13-38-2)11-33-25-31-9-8-18(35-25)22-21(16-10-19(39-3)23(30)32-12-16)36-24(40-22)15-4-6-17(7-5-15)26(27,28)29/h4-10,12,14H,11,13H2,1-3H3,(H2,30,32)(H,34,37)(H,31,33,35)/t14-/m0/s1
• InChIKey: XPUVTPOMJCWEET-AWEZNQCLSA-N
• XLogP: 4.03
• TPSA: 150.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.53
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide (CID 59137558) is N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)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-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?

The InChIKey is XPUVTPOMJCWEET-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H26F3N7O4/c1-14(34-20(37)13-38-2)11-33-25-31-9-8-18(35-25)22-21(16-10-19(39-3)23(30)32-12-16)36-24(40-22)15-4-6-17(7-5-15)26(27,28)29/h4-10,12,14H,11,13H2,1-3H3,(H2,30,32)(H,34,37)(H,31,33,35)/t14-/m0/s1.

What are the key properties of N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide has a molecular weight of 557.53 g/mol, XLogP of 4.03, 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-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 59137558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).