(3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine

C25H26F3N7O2 — CID 167053045

About (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine

(3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine (PubChem CID 167053045) has the molecular formula C25H26F3N7O2 and a molecular weight of 513.52 g/mol. Its IUPAC name is (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine.

Molecular Properties

• Compound Name: (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine
• PubChem CID: 167053045
• Molecular Formula: C25H26F3N7O2
• Molecular Weight: 513.52 g/mol
• Exact Mass: 513.21
• IUPAC Name: (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine
• SMILES: CN1c2nc(NCc3ccc(Oc4ccc(C(F)(F)F)nc4)nc3)nc3c2N(CCC3)C[C@@]12CCOC2
• InChI: InChI=1S/C25H26F3N7O2/c1-34-22-21-18(3-2-9-35(21)14-24(34)8-10-36-15-24)32-23(33-22)31-12-16-4-7-20(30-11-16)37-17-5-6-19(29-13-17)25(26,27)28/h4-7,11,13H,2-3,8-10,12,14-15H2,1H3,(H,31,32,33)/t24-/m1/s1
• InChIKey: BFKLPWKKDCAPIQ-XMMPIXPASA-N
• XLogP: 4.05
• TPSA: 88.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.52
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine?

The IUPAC name of (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine (CID 167053045) is (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine.

What is the SMILES notation for (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine?

The canonical SMILES for (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine is CN1c2nc(NCc3ccc(Oc4ccc(C(F)(F)F)nc4)nc3)nc3c2N(CCC3)C[C@@]12CCOC2.

What is the InChIKey of (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine?

The InChIKey is BFKLPWKKDCAPIQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26F3N7O2/c1-34-22-21-18(3-2-9-35(21)14-24(34)8-10-36-15-24)32-23(33-22)31-12-16-4-7-20(30-11-16)37-17-5-6-19(29-13-17)25(26,27)28/h4-7,11,13H,2-3,8-10,12,14-15H2,1H3,(H,31,32,33)/t24-/m1/s1.

What are the key properties of (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine?

(3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine has a molecular weight of 513.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine is sourced from PubChem (CID 167053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).