7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)

C23H25F6N3O5 — CID 118746620

IUPAC7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1
InChIInChI=1S/C19H23N3O.2C2HF3O2/c1-2-9-21-16(4-1)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-3-8-20-14-17;2*3-2(4,5)1(6)7/h1-5,8-9,14,18H,6-7,10-13,15H2;2*(H,6,7)
InChIKeyNSPXBQVZRQLWJN-UHFFFAOYSA-N
MW537.46 g/mol
LogP4.57
Rot. Bonds4

About 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)

7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746620) has the molecular formula C23H25F6N3O5 and a molecular weight of 537.46 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746620
Molecular FormulaC23H25F6N3O5
Molecular Weight537.46 g/mol
Exact Mass537.17
IUPAC Name7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1
InChIInChI=1S/C19H23N3O.2C2HF3O2/c1-2-9-21-16(4-1)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-3-8-20-14-17;2*3-2(4,5)1(6)7/h1-5,8-9,14,18H,6-7,10-13,15H2;2*(H,6,7)
InChIKeyNSPXBQVZRQLWJN-UHFFFAOYSA-N
XLogP4.57
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) (CID 118746620) is 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1.
What is the InChIKey of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NSPXBQVZRQLWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2C2HF3O2/c1-2-9-21-16(4-1)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-3-8-20-14-17;2*3-2(4,5)1(6)7/h1-5,8-9,14,18H,6-7,10-13,15H2;2*(H,6,7).
What are the key properties of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?
7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 537.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).