2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C20H24N4 — CID 24931243

About 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931243) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931243
• Molecular Formula: C20H24N4
• Molecular Weight: 320.44 g/mol
• Exact Mass: 320.20
• IUPAC Name: 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cc1ncc2c(n1)CN(Cc1c[nH]c3cc(C(C)C)ccc13)CC2
• InChI: InChI=1S/C20H24N4/c1-13(2)15-4-5-18-17(10-22-19(18)8-15)11-24-7-6-16-9-21-14(3)23-20(16)12-24/h4-5,8-10,13,22H,6-7,11-12H2,1-3H3
• InChIKey: JSCJWPLTHVINIF-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.44
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931243) is 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ncc2c(n1)CN(Cc1c[nH]c3cc(C(C)C)ccc13)CC2.

What is the InChIKey of 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is JSCJWPLTHVINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-13(2)15-4-5-18-17(10-22-19(18)8-15)11-24-7-6-16-9-21-14(3)23-20(16)12-24/h4-5,8-10,13,22H,6-7,11-12H2,1-3H3.

What are the key properties of 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).