4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine

C30H44N6O — CID 163223372

About 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine (PubChem CID 163223372) has the molecular formula C30H44N6O and a molecular weight of 504.72 g/mol. Its IUPAC name is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine.

Molecular Properties

• Compound Name: 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
• PubChem CID: 163223372
• Molecular Formula: C30H44N6O
• Molecular Weight: 504.72 g/mol
• Exact Mass: 504.36
• IUPAC Name: 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
• SMILES: CN1CCCC1.COc1nc2c(c(N3CC4CCC(C3)N4)n1)CCN(c1cccc3c1C(C)CCC3)C2
• InChI: InChI=1S/C25H33N5O.C5H11N/c1-16-5-3-6-17-7-4-8-22(23(16)17)29-12-11-20-21(15-29)27-25(31-2)28-24(20)30-13-18-9-10-19(14-30)26-18;1-6-4-2-3-5-6/h4,7-8,16,18-19,26H,3,5-6,9-15H2,1-2H3;2-5H2,1H3
• InChIKey: POLHJNYKYDBPAR-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 56.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.72
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?

The IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine (CID 163223372) is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine.

What is the SMILES notation for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?

The canonical SMILES for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine is CN1CCCC1.COc1nc2c(c(N3CC4CCC(C3)N4)n1)CCN(c1cccc3c1C(C)CCC3)C2.

What is the InChIKey of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?

The InChIKey is POLHJNYKYDBPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O.C5H11N/c1-16-5-3-6-17-7-4-8-22(23(16)17)29-12-11-20-21(15-29)27-25(31-2)28-24(20)30-13-18-9-10-19(14-30)26-18;1-6-4-2-3-5-6/h4,7-8,16,18-19,26H,3,5-6,9-15H2,1-2H3;2-5H2,1H3.

What are the key properties of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine has a molecular weight of 504.72 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine is sourced from PubChem (CID 163223372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).