[5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate

C30H32ClFN6O3 — CID 167225566

About [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate

[5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate (PubChem CID 167225566) has the molecular formula C30H32ClFN6O3 and a molecular weight of 579.08 g/mol. Its IUPAC name is [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate
• PubChem CID: 167225566
• Molecular Formula: C30H32ClFN6O3
• Molecular Weight: 579.08 g/mol
• Exact Mass: 578.22
• IUPAC Name: [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate
• SMILES: COc1nc2c(c(N3Cc4c(F)ncn4CC3C)n1)CCN(c1cc(OC(=O)C(C)(C)C)cc3cccc(Cl)c13)C2
• InChI: InChI=1S/C30H32ClFN6O3/c1-17-13-37-16-33-26(32)24(37)15-38(17)27-20-9-10-36(14-22(20)34-29(35-27)40-5)23-12-19(41-28(39)30(2,3)4)11-18-7-6-8-21(31)25(18)23/h6-8,11-12,16-17H,9-10,13-15H2,1-5H3
• InChIKey: GDRKKHZKIBNNMS-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 85.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.08
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate?

The IUPAC name of [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate (CID 167225566) is [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate is COc1nc2c(c(N3Cc4c(F)ncn4CC3C)n1)CCN(c1cc(OC(=O)C(C)(C)C)cc3cccc(Cl)c13)C2.

What is the InChIKey of [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate?

The InChIKey is GDRKKHZKIBNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN6O3/c1-17-13-37-16-33-26(32)24(37)15-38(17)27-20-9-10-36(14-22(20)34-29(35-27)40-5)23-12-19(41-28(39)30(2,3)4)11-18-7-6-8-21(31)25(18)23/h6-8,11-12,16-17H,9-10,13-15H2,1-5H3.

What are the key properties of [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate?

[5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate has a molecular weight of 579.08 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-4-[4-(1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 167225566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).