(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol

C19H20F3N3O2 — CID 168920734

IUPAC(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol
SMILESCOc1cnccc1C(O)C1CC2(C1)CN(c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C19H20F3N3O2/c1-27-15-9-23-5-4-14(15)17(26)12-6-18(7-12)10-25(11-18)13-2-3-16(24-8-13)19(20,21)22/h2-5,8-9,12,17,26H,6-7,10-11H2,1H3
InChIKeyDPXQYDLKUJHROZ-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.45
Rot. Bonds4

About (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol

(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol (PubChem CID 168920734) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol
PubChem CID168920734
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol
SMILESCOc1cnccc1C(O)C1CC2(C1)CN(c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C19H20F3N3O2/c1-27-15-9-23-5-4-14(15)17(26)12-6-18(7-12)10-25(11-18)13-2-3-16(24-8-13)19(20,21)22/h2-5,8-9,12,17,26H,6-7,10-11H2,1H3
InChIKeyDPXQYDLKUJHROZ-UHFFFAOYSA-N
XLogP3.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol 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
(4-methoxy-3-pyridinyl)-(2-quinolin-7-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 168920677
4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol
CID 168920614
7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
CID 168920688
[2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol
CID 168920571
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
1-[(2R,4R)-2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 178103082
5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163348273
3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
CID 105066324
2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354154
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436
4-(3-methoxy-4-pyridinyl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150691156

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol?
The IUPAC name of (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol (CID 168920734) is (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol?
The canonical SMILES for (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol is COc1cnccc1C(O)C1CC2(C1)CN(c1ccc(C(F)(F)F)nc1)C2.
What is the InChIKey of (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol?
The InChIKey is DPXQYDLKUJHROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-27-15-9-23-5-4-14(15)17(26)12-6-18(7-12)10-25(11-18)13-2-3-16(24-8-13)19(20,21)22/h2-5,8-9,12,17,26H,6-7,10-11H2,1H3.
What are the key properties of (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol?
(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol has a molecular weight of 379.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol is sourced from PubChem (CID 168920734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).