(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol

C22H26F3N3O2 — CID 169066845

IUPAC(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
SMILESCOc1cc(C(F)(F)F)ccc1-c1nnc([C@H](O)[C@@H]2CCCN(C3CC3)C2)cc1C
InChIInChI=1S/C22H26F3N3O2/c1-13-10-18(21(29)14-4-3-9-28(12-14)16-6-7-16)26-27-20(13)17-8-5-15(22(23,24)25)11-19(17)30-2/h5,8,10-11,14,16,21,29H,3-4,6-7,9,12H2,1-2H3/t14-,21-/m1/s1
InChIKeyWSLWKZROISDUCK-SPLOXXLWSA-N
MW421.46 g/mol
LogP4.39
Rot. Bonds5

About (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol

(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol (PubChem CID 169066845) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol.

Molecular Properties

Compound Name(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
PubChem CID169066845
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
SMILESCOc1cc(C(F)(F)F)ccc1-c1nnc([C@H](O)[C@@H]2CCCN(C3CC3)C2)cc1C
InChIInChI=1S/C22H26F3N3O2/c1-13-10-18(21(29)14-4-3-9-28(12-14)16-6-7-16)26-27-20(13)17-8-5-15(22(23,24)25)11-19(17)30-2/h5,8,10-11,14,16,21,29H,3-4,6-7,9,12H2,1-2H3/t14-,21-/m1/s1
InChIKeyWSLWKZROISDUCK-SPLOXXLWSA-N
XLogP4.39
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol with MolForge

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Related Compounds

(S)-1-azabicyclo[2.2.2]octan-3-yl-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
CID 170214288
[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol
CID 176945813
[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol
CID 170226586
tert-butyl 3-[hydroxy-[6-(2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]methyl]azepane-1-carboxylate
CID 170226535
[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone
CID 169189933
methyl 6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazine-3-carboxylate
CID 178140786
2-[3-[[(3R)-1-cyclopropylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099156
2-[6-[hydroxy-(1-methylpiperidin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066771
tert-butyl (2S,5R)-2-carbamoyl-5-[[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidine-1-carboxylate
CID 178140958
tert-butyl N-[1-[4-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]piperidine-1-carbonyl]piperidin-4-yl]carbamate
CID 171837833
tert-butyl 4-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 171838033
tert-butyl 3-[hydroxy-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methyl]azepane-1-carboxylate
CID 169189980

Frequently Asked Questions

What is the IUPAC name of (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol?
The IUPAC name of (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol (CID 169066845) is (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol.
What is the SMILES notation for (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol?
The canonical SMILES for (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol is COc1cc(C(F)(F)F)ccc1-c1nnc([C@H](O)[C@@H]2CCCN(C3CC3)C2)cc1C.
What is the InChIKey of (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol?
The InChIKey is WSLWKZROISDUCK-SPLOXXLWSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-13-10-18(21(29)14-4-3-9-28(12-14)16-6-7-16)26-27-20(13)17-8-5-15(22(23,24)25)11-19(17)30-2/h5,8,10-11,14,16,21,29H,3-4,6-7,9,12H2,1-2H3/t14-,21-/m1/s1.
What are the key properties of (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol?
(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol has a molecular weight of 421.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol is sourced from PubChem (CID 169066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).