2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H22N4O3 — CID 135943092

About 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943092) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943092
• Molecular Formula: C22H22N4O3
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.17
• IUPAC Name: 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc2c(c1)c(CN1CCc3nc(-c4ccco4)[nH]c(=O)c3C1)cn2C
• InChI: InChI=1S/C22H22N4O3/c1-25-11-14(16-10-15(28-2)5-6-19(16)25)12-26-8-7-18-17(13-26)22(27)24-21(23-18)20-4-3-9-29-20/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,23,24,27)
• InChIKey: OLMZZGKPPZFBMG-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943092) is 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc2c(c1)c(CN1CCc3nc(-c4ccco4)[nH]c(=O)c3C1)cn2C.

What is the InChIKey of 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is OLMZZGKPPZFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-11-14(16-10-15(28-2)5-6-19(16)25)12-26-8-7-18-17(13-26)22(27)24-21(23-18)20-4-3-9-29-20/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,23,24,27).

What are the key properties of 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 390.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).