1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol

C24H26N4O3 — CID 123926099

About 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol

1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 123926099) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol
• PubChem CID: 123926099
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol
• SMILES: COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(C3(O)CCC3)nc2)nc1
• InChI: InChI=1S/C24H26N4O3/c1-15-25-13-20(16-4-7-22(27-11-16)24(29)8-3-9-24)23(28-15)31-14-17-10-19(17)21-6-5-18(30-2)12-26-21/h4-7,11-13,17,19,29H,3,8-10,14H2,1-2H3
• InChIKey: JYXAYZHJXJDDHN-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 90.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol?

The IUPAC name of 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol (CID 123926099) is 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol.

What is the SMILES notation for 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol?

The canonical SMILES for 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(C3(O)CCC3)nc2)nc1.

What is the InChIKey of 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol?

The InChIKey is JYXAYZHJXJDDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15-25-13-20(16-4-7-22(27-11-16)24(29)8-3-9-24)23(28-15)31-14-17-10-19(17)21-6-5-18(30-2)12-26-21/h4-7,11-13,17,19,29H,3,8-10,14H2,1-2H3.

What are the key properties of 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol?

1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 418.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 123926099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).