(3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

C22H24N4O2 — CID 110241543

About (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

(3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110241543) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 110241543
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1c(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)C2)oc2ccccc12
• InChI: InChI=1S/C22H24N4O2/c1-14-17-5-3-4-6-19(17)28-20(14)22(27)26-10-7-15(13-26)21-23-11-16-12-25(2)9-8-18(16)24-21/h3-6,11,15H,7-10,12-13H2,1-2H3
• InChIKey: SDCCCXAZRDZVRA-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 110241543) is (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)C2)oc2ccccc12.

What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is SDCCCXAZRDZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-17-5-3-4-6-19(17)28-20(14)22(27)26-10-7-15(13-26)21-23-11-16-12-25(2)9-8-18(16)24-21/h3-6,11,15H,7-10,12-13H2,1-2H3.

What are the key properties of (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

(3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110241543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).