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

C25H25ClN6O2 — CID 167225576

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

5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 167225576) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 167225576
• Molecular Formula: C25H25ClN6O2
• Molecular Weight: 476.97 g/mol
• Exact Mass: 476.17
• IUPAC Name: 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: COc1nc2c(c(N3Cc4cncn4CC3C)n1)CCN(c1cc(O)cc3cccc(Cl)c13)C2
• InChI: InChI=1S/C25H25ClN6O2/c1-15-11-31-14-27-10-17(31)12-32(15)24-19-6-7-30(13-21(19)28-25(29-24)34-2)22-9-18(33)8-16-4-3-5-20(26)23(16)22/h3-5,8-10,14-15,33H,6-7,11-13H2,1-2H3
• InChIKey: GHMISNBYGSHFAU-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 79.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.97
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 167225576) is 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

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

The canonical SMILES for 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is COc1nc2c(c(N3Cc4cncn4CC3C)n1)CCN(c1cc(O)cc3cccc(Cl)c13)C2.

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

The InChIKey is GHMISNBYGSHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-15-11-31-14-27-10-17(31)12-32(15)24-19-6-7-30(13-21(19)28-25(29-24)34-2)22-9-18(33)8-16-4-3-5-20(26)23(16)22/h3-5,8-10,14-15,33H,6-7,11-13H2,1-2H3.

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

5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 476.97 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 167225576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).