7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

C23H26ClN7O3 — CID 154975046

About 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (PubChem CID 154975046) has the molecular formula C23H26ClN7O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
• PubChem CID: 154975046
• Molecular Formula: C23H26ClN7O3
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.18
• IUPAC Name: 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
• SMILES: Cc1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)nc(N2C(=O)OC3(COC3)C2C(C)C)n1
• InChI: InChI=1S/C23H26ClN7O3/c1-13(2)19-23(10-33-11-23)34-22(32)31(19)21-28-15(4)27-20(29-21)26-14(3)18-9-30(12-25-18)17-7-5-16(24)6-8-17/h5-9,12-14,19H,10-11H2,1-4H3,(H,26,27,28,29)/t14-,19?/m0/s1
• InChIKey: VFOKJMRJPOVFDR-KTQQKIMGSA-N
• XLogP: 3.94
• TPSA: 107.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?

The IUPAC name of 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (CID 154975046) is 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.

What is the SMILES notation for 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?

The canonical SMILES for 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is Cc1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)nc(N2C(=O)OC3(COC3)C2C(C)C)n1.

What is the InChIKey of 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?

The InChIKey is VFOKJMRJPOVFDR-KTQQKIMGSA-N. The full InChI is InChI=1S/C23H26ClN7O3/c1-13(2)19-23(10-33-11-23)34-22(32)31(19)21-28-15(4)27-20(29-21)26-14(3)18-9-30(12-25-18)17-7-5-16(24)6-8-17/h5-9,12-14,19H,10-11H2,1-4H3,(H,26,27,28,29)/t14-,19?/m0/s1.

What are the key properties of 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?

7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one has a molecular weight of 483.96 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 154975046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).