2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine

C25H27N7O2 — CID 166123288

About 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine

2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine (PubChem CID 166123288) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine.

Molecular Properties

• Compound Name: 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
• PubChem CID: 166123288
• Molecular Formula: C25H27N7O2
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.22
• IUPAC Name: 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
• SMILES: COc1ccc(-c2nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)cn1
• InChI: InChI=1S/C25H27N7O2/c1-14-15(2)29-25-23(28-14)22(17-4-7-21(33-3)26-11-17)30-24(31-25)16-8-9-34-20(10-16)18-12-27-32(13-18)19-5-6-19/h4,7,11-13,16,19-20H,5-6,8-10H2,1-3H3
• InChIKey: MZUGXUXDNDDBBS-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 100.73 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine?

The IUPAC name of 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine (CID 166123288) is 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine.

What is the SMILES notation for 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine?

The canonical SMILES for 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine is COc1ccc(-c2nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)cn1.

What is the InChIKey of 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine?

The InChIKey is MZUGXUXDNDDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-14-15(2)29-25-23(28-14)22(17-4-7-21(33-3)26-11-17)30-24(31-25)16-8-9-34-20(10-16)18-12-27-32(13-18)19-5-6-19/h4,7,11-13,16,19-20H,5-6,8-10H2,1-3H3.

What are the key properties of 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine?

2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine has a molecular weight of 457.54 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine is sourced from PubChem (CID 166123288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).