6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine

C28H26N8O2 — CID 58275274

About 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine

6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 58275274) has the molecular formula C28H26N8O2 and a molecular weight of 506.57 g/mol. Its IUPAC name is 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
• PubChem CID: 58275274
• Molecular Formula: C28H26N8O2
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.22
• IUPAC Name: 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
• SMILES: CC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CC5)nc4)nc23)CC1
• InChI: InChI=1S/C28H26N8O2/c1-28(12-13-28)38-26-25-23(10-9-22(33-25)19-4-11-24(30-15-19)37-21-7-8-21)34-27(35-26)31-14-18-2-5-20(6-3-18)36-17-29-16-32-36/h2-6,9-11,15-17,21H,7-8,12-14H2,1H3,(H,31,34,35)
• InChIKey: GCOOOALLIPGRDP-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 112.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?

The IUPAC name of 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 58275274) is 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine is CC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CC5)nc4)nc23)CC1.

What is the InChIKey of 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?

The InChIKey is GCOOOALLIPGRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O2/c1-28(12-13-28)38-26-25-23(10-9-22(33-25)19-4-11-24(30-15-19)37-21-7-8-21)34-27(35-26)31-14-18-2-5-20(6-3-18)36-17-29-16-32-36/h2-6,9-11,15-17,21H,7-8,12-14H2,1H3,(H,31,34,35).

What are the key properties of 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?

6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 506.57 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyclopropyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 58275274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).