3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine

C38H26F2N14O3 — CID 160605652

About 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine

3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 160605652) has the molecular formula C38H26F2N14O3 and a molecular weight of 764.72 g/mol. Its IUPAC name is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 160605652
• Molecular Formula: C38H26F2N14O3
• Molecular Weight: 764.72 g/mol
• Exact Mass: 764.23
• IUPAC Name: 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2ccc(-c3cc(F)cc(C(=O)O)c3)nc12.Nc1ncnc2ccc(-c3cc[nH]c(=O)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12
• InChI: InChI=1S/C14H9FN4O2.C12H8FN5.C12H9N5O/c15-9-4-7(3-8(5-9)14(20)21)10-1-2-11-12(19-10)13(16)18-6-17-11;13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;13-12-11-9(15-6-16-12)2-1-8(17-11)7-3-4-14-10(18)5-7/h1-6H,(H,20,21)(H2,16,17,18);1-6H,(H2,14,16,17);1-6H,(H,14,18)(H2,13,15,16)
• InChIKey: REVJYPOLVPONBU-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 277.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.72
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (CID 160605652) is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cc(F)cc(C(=O)O)c3)nc12.Nc1ncnc2ccc(-c3cc[nH]c(=O)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.

What is the InChIKey of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is REVJYPOLVPONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2.C12H8FN5.C12H9N5O/c15-9-4-7(3-8(5-9)14(20)21)10-1-2-11-12(19-10)13(16)18-6-17-11;13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;13-12-11-9(15-6-16-12)2-1-8(17-11)7-3-4-14-10(18)5-7/h1-6H,(H,20,21)(H2,16,17,18);1-6H,(H2,14,16,17);1-6H,(H,14,18)(H2,13,15,16).

What are the key properties of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 764.72 g/mol, XLogP of 4.88, 4 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one;6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160605652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).