cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane

C36H50FN7O3 — CID 177329726

About cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane

cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane (PubChem CID 177329726) has the molecular formula C36H50FN7O3 and a molecular weight of 647.84 g/mol. Its IUPAC name is cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane.

Molecular Properties

• Compound Name: cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane
• PubChem CID: 177329726
• Molecular Formula: C36H50FN7O3
• Molecular Weight: 647.84 g/mol
• Exact Mass: 647.40
• IUPAC Name: cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane
• SMILES: C1CC1.COC.Cc1cc(-c2ncc3c(N(C)CCCC4CC(O)C4)nc(OCC45CCCN4CCC5)nc3c2F)c2cn[nH]c2c1
• InChI: InChI=1S/C31H38FN7O2.C3H6.C2H6O/c1-19-12-22(23-17-34-37-25(23)13-19)27-26(32)28-24(16-33-27)29(38(2)9-3-6-20-14-21(40)15-20)36-30(35-28)41-18-31-7-4-10-39(31)11-5-8-31;1-2-3-1;1-3-2/h12-13,16-17,20-21,40H,3-11,14-15,18H2,1-2H3,(H,34,37);1-3H2;1-2H3
• InChIKey: QDLSUYYVUWTMEX-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 112.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.84
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane?

The IUPAC name of cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane (CID 177329726) is cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane.

What is the SMILES notation for cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane?

The canonical SMILES for cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane is C1CC1.COC.Cc1cc(-c2ncc3c(N(C)CCCC4CC(O)C4)nc(OCC45CCCN4CCC5)nc3c2F)c2cn[nH]c2c1.

What is the InChIKey of cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane?

The InChIKey is QDLSUYYVUWTMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN7O2.C3H6.C2H6O/c1-19-12-22(23-17-34-37-25(23)13-19)27-26(32)28-24(16-33-27)29(38(2)9-3-6-20-14-21(40)15-20)36-30(35-28)41-18-31-7-4-10-39(31)11-5-8-31;1-2-3-1;1-3-2/h12-13,16-17,20-21,40H,3-11,14-15,18H2,1-2H3,(H,34,37);1-3H2;1-2H3.

What are the key properties of cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane?

cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane has a molecular weight of 647.84 g/mol, XLogP of 6.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane is sourced from PubChem (CID 177329726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).