2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile

C30H33N13O2 — CID 175633257

About 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile

2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile (PubChem CID 175633257) has the molecular formula C30H33N13O2 and a molecular weight of 607.68 g/mol. Its IUPAC name is 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile
• PubChem CID: 175633257
• Molecular Formula: C30H33N13O2
• Molecular Weight: 607.68 g/mol
• Exact Mass: 607.29
• IUPAC Name: 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile
• SMILES: Cc1ncc(Cn2nnc(-c3cnc4cc(N5CCOCC5)nc(OC5CCC(Nc6ncc(C#N)cn6)CC5)c4c3)n2)n1C
• InChI: InChI=1S/C30H33N13O2/c1-19-32-17-23(41(19)2)18-43-39-28(38-40-43)21-11-25-26(33-16-21)12-27(42-7-9-44-10-8-42)37-29(25)45-24-5-3-22(4-6-24)36-30-34-14-20(13-31)15-35-30/h11-12,14-17,22,24H,3-10,18H2,1-2H3,(H,34,35,36)
• InChIKey: LTJHIBYVVMHRKW-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 170.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.68
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile?

The IUPAC name of 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile (CID 175633257) is 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile.

What is the SMILES notation for 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile?

The canonical SMILES for 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile is Cc1ncc(Cn2nnc(-c3cnc4cc(N5CCOCC5)nc(OC5CCC(Nc6ncc(C#N)cn6)CC5)c4c3)n2)n1C.

What is the InChIKey of 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile?

The InChIKey is LTJHIBYVVMHRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N13O2/c1-19-32-17-23(41(19)2)18-43-39-28(38-40-43)21-11-25-26(33-16-21)12-27(42-7-9-44-10-8-42)37-29(25)45-24-5-3-22(4-6-24)36-30-34-14-20(13-31)15-35-30/h11-12,14-17,22,24H,3-10,18H2,1-2H3,(H,34,35,36).

What are the key properties of 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile?

2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 607.68 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 175633257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).