3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide

C23H15F3N8O2 — CID 154604707

About 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide

3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 154604707) has the molecular formula C23H15F3N8O2 and a molecular weight of 492.42 g/mol. Its IUPAC name is 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
• PubChem CID: 154604707
• Molecular Formula: C23H15F3N8O2
• Molecular Weight: 492.42 g/mol
• Exact Mass: 492.13
• IUPAC Name: 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
• SMILES: Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1nccc(C(F)(F)F)n1
• InChI: InChI=1S/C23H15F3N8O2/c24-23(25,26)15-5-7-29-16(32-15)11-31-21(35)19-20(27)34-18(22-30-8-9-36-22)17(33-19)13-3-4-14-12(10-13)2-1-6-28-14/h1-10H,11H2,(H2,27,34)(H,31,35)
• InChIKey: AAOPNKUIXJKKMN-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 145.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.42
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide (CID 154604707) is 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1nccc(C(F)(F)F)n1.

What is the InChIKey of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?

The InChIKey is AAOPNKUIXJKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N8O2/c24-23(25,26)15-5-7-29-16(32-15)11-31-21(35)19-20(27)34-18(22-30-8-9-36-22)17(33-19)13-3-4-14-12(10-13)2-1-6-28-14/h1-10H,11H2,(H2,27,34)(H,31,35).

What are the key properties of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?

3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 492.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 154604707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).