N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

C22H20F3N7O3 — CID 171619261

About N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (PubChem CID 171619261) has the molecular formula C22H20F3N7O3 and a molecular weight of 487.44 g/mol. Its IUPAC name is N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.

Molecular Properties

• Compound Name: N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
• PubChem CID: 171619261
• Molecular Formula: C22H20F3N7O3
• Molecular Weight: 487.44 g/mol
• Exact Mass: 487.16
• IUPAC Name: N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
• SMILES: C[C@H](c1ncccn1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(N)c2c1COC2
• InChI: InChI=1S/C22H20F3N7O3/c1-12(19-27-5-2-6-28-19)32(9-14-4-3-13(7-29-14)22(23,24)25)21(34)20(33)31-17-8-30-18(26)16-11-35-10-15(16)17/h2-8,12H,9-11H2,1H3,(H2,26,30)(H,31,33)/t12-/m1/s1
• InChIKey: RJQMBRQVQSXISH-GFCCVEGCSA-N
• XLogP: 2.63
• TPSA: 136.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.44
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

The IUPAC name of N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (CID 171619261) is N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.

What is the SMILES notation for N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

The canonical SMILES for N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is C[C@H](c1ncccn1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(N)c2c1COC2.

What is the InChIKey of N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

The InChIKey is RJQMBRQVQSXISH-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20F3N7O3/c1-12(19-27-5-2-6-28-19)32(9-14-4-3-13(7-29-14)22(23,24)25)21(34)20(33)31-17-8-30-18(26)16-11-35-10-15(16)17/h2-8,12H,9-11H2,1H3,(H2,26,30)(H,31,33)/t12-/m1/s1.

What are the key properties of N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide has a molecular weight of 487.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is sourced from PubChem (CID 171619261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).