10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

C24H24F3N7S — CID 4968267

About 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (PubChem CID 4968267) has the molecular formula C24H24F3N7S and a molecular weight of 499.57 g/mol. Its IUPAC name is 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.

Molecular Properties

• Compound Name: 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
• PubChem CID: 4968267
• Molecular Formula: C24H24F3N7S
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.18
• IUPAC Name: 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
• SMILES: CC1CCN(Cc2nc(-n3nnc(-c4cccc(C(F)(F)F)c4)n3)c3c4c(sc3n2)CCC4)CC1
• InChI: InChI=1S/C24H24F3N7S/c1-14-8-10-33(11-9-14)13-19-28-22(20-17-6-3-7-18(17)35-23(20)29-19)34-31-21(30-32-34)15-4-2-5-16(12-15)24(25,26)27/h2,4-5,12,14H,3,6-11,13H2,1H3
• InChIKey: SRGWAZKZQTVREF-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 72.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?

The IUPAC name of 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (CID 4968267) is 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.

What is the SMILES notation for 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?

The canonical SMILES for 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is CC1CCN(Cc2nc(-n3nnc(-c4cccc(C(F)(F)F)c4)n3)c3c4c(sc3n2)CCC4)CC1.

What is the InChIKey of 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?

The InChIKey is SRGWAZKZQTVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7S/c1-14-8-10-33(11-9-14)13-19-28-22(20-17-6-3-7-18(17)35-23(20)29-19)34-31-21(30-32-34)15-4-2-5-16(12-15)24(25,26)27/h2,4-5,12,14H,3,6-11,13H2,1H3.

What are the key properties of 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?

10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene has a molecular weight of 499.57 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is sourced from PubChem (CID 4968267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).