6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one

C26H23Cl2N5O — CID 71724880

About 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one

6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71724880) has the molecular formula C26H23Cl2N5O and a molecular weight of 492.41 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 71724880
• Molecular Formula: C26H23Cl2N5O
• Molecular Weight: 492.41 g/mol
• Exact Mass: 491.13
• IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one
• SMILES: Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC43CC3)nc12
• InChI: InChI=1S/C26H23Cl2N5O/c1-15-12-33(23-20(27)4-3-5-21(23)28)24(34)18-11-29-25(31-22(15)18)30-17-6-7-19-16(10-17)13-32(2)14-26(19)8-9-26/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,29,30,31)
• InChIKey: UWJHZJSULUUDDG-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.41
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one (CID 71724880) is 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one is Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC43CC3)nc12.

What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one?

The InChIKey is UWJHZJSULUUDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O/c1-15-12-33(23-20(27)4-3-5-21(23)28)24(34)18-11-29-25(31-22(15)18)30-17-6-7-19-16(10-17)13-32(2)14-26(19)8-9-26/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,29,30,31).

What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one?

6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 492.41 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71724880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).