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

C23H25N7O — CID 91216293

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

4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 91216293) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• PubChem CID: 91216293
• Molecular Formula: C23H25N7O
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.21
• IUPAC Name: 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• SMILES: c1cnc(N2CCc3c(nc(-c4ccc5c(c4)CCN5)nc3N3CCOCC3)C2)nc1
• InChI: InChI=1S/C23H25N7O/c1-6-25-23(26-7-1)30-9-5-18-20(15-30)27-21(28-22(18)29-10-12-31-13-11-29)17-2-3-19-16(14-17)4-8-24-19/h1-3,6-7,14,24H,4-5,8-13,15H2
• InChIKey: IRMBKUCLJCEUTN-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 79.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 91216293) is 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

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

The canonical SMILES for 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is c1cnc(N2CCc3c(nc(-c4ccc5c(c4)CCN5)nc3N3CCOCC3)C2)nc1.

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

The InChIKey is IRMBKUCLJCEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-6-25-23(26-7-1)30-9-5-18-20(15-30)27-21(28-22(18)29-10-12-31-13-11-29)17-2-3-19-16(14-17)4-8-24-19/h1-3,6-7,14,24H,4-5,8-13,15H2.

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

4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 415.50 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 91216293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).