2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol

C19H19ClF3N3O2 — CID 168920467

IUPAC2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCOc1ccncc1CC1(O)CC2(CN(c3cc(Cl)cnc3C(F)(F)F)C2)C1
InChIInChI=1S/C19H19ClF3N3O2/c1-28-15-2-3-24-6-12(15)5-18(27)8-17(9-18)10-26(11-17)14-4-13(20)7-25-16(14)19(21,22)23/h2-4,6-7,27H,5,8-11H2,1H3
InChIKeyMDQGESANJKZJRT-UHFFFAOYSA-N
MW413.83 g/mol
LogP3.73
Rot. Bonds4

About 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol

2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 168920467) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID168920467
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCOc1ccncc1CC1(O)CC2(CN(c3cc(Cl)cnc3C(F)(F)F)C2)C1
InChIInChI=1S/C19H19ClF3N3O2/c1-28-15-2-3-24-6-12(15)5-18(27)8-17(9-18)10-26(11-17)14-4-13(20)7-25-16(14)19(21,22)23/h2-4,6-7,27H,5,8-11H2,1H3
InChIKeyMDQGESANJKZJRT-UHFFFAOYSA-N
XLogP3.73
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol with MolForge

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Related Compounds

[2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-(4-ethoxy-3-pyridinyl)methanol
CID 168920592
1-[(4-methoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 146081339
3-(iodomethyl)-4-methoxypyridine
CID 130559780
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
1-[2-(5-chloro-2-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxy-3-pyridinyl)ethanone
CID 166284859
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol
CID 168920734
2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
CID 84670350
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103738622
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol (CID 168920467) is 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol is COc1ccncc1CC1(O)CC2(CN(c3cc(Cl)cnc3C(F)(F)F)C2)C1.
What is the InChIKey of 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is MDQGESANJKZJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-28-15-2-3-24-6-12(15)5-18(27)8-17(9-18)10-26(11-17)14-4-13(20)7-25-16(14)19(21,22)23/h2-4,6-7,27H,5,8-11H2,1H3.
What are the key properties of 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol?
2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 413.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 168920467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).