7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C29H32ClN7O — CID 167225591

About 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 167225591) has the molecular formula C29H32ClN7O and a molecular weight of 530.08 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 167225591
• Molecular Formula: C29H32ClN7O
• Molecular Weight: 530.08 g/mol
• Exact Mass: 529.24
• IUPAC Name: 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CC1Cn2cncc2CN1c1nc(OCC2CCN2C)nc2c1CCN(c1cccc3cccc(Cl)c13)C2
• InChI: InChI=1S/C29H32ClN7O/c1-19-14-36-18-31-13-22(36)15-37(19)28-23-10-12-35(26-8-4-6-20-5-3-7-24(30)27(20)26)16-25(23)32-29(33-28)38-17-21-9-11-34(21)2/h3-8,13,18-19,21H,9-12,14-17H2,1-2H3
• InChIKey: MWMUOTMLPTXEHN-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 62.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.08
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 167225591) is 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC1Cn2cncc2CN1c1nc(OCC2CCN2C)nc2c1CCN(c1cccc3cccc(Cl)c13)C2.

What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is MWMUOTMLPTXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN7O/c1-19-14-36-18-31-13-22(36)15-37(19)28-23-10-12-35(26-8-4-6-20-5-3-7-24(30)27(20)26)16-25(23)32-29(33-28)38-17-21-9-11-34(21)2/h3-8,13,18-19,21H,9-12,14-17H2,1-2H3.

What are the key properties of 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 530.08 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 167225591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).