[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol

C20H26FN3O2 — CID 170226586

IUPAC[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol
SMILESCOc1cc(C)c(F)cc1-c1nnc(C(O)[C@@H]2CCCN(C)C2)cc1C
InChIInChI=1S/C20H26FN3O2/c1-12-9-18(26-4)15(10-16(12)21)19-13(2)8-17(22-23-19)20(25)14-6-5-7-24(3)11-14/h8-10,14,20,25H,5-7,11H2,1-4H3/t14-,20?/m1/s1
InChIKeyNEHDVWNRKXTEFA-QMRFKDRMSA-N
MW359.45 g/mol
LogP3.28
Rot. Bonds4

About [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol

[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol (PubChem CID 170226586) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol
PubChem CID170226586
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol
SMILESCOc1cc(C)c(F)cc1-c1nnc(C(O)[C@@H]2CCCN(C)C2)cc1C
InChIInChI=1S/C20H26FN3O2/c1-12-9-18(26-4)15(10-16(12)21)19-13(2)8-17(22-23-19)20(25)14-6-5-7-24(3)11-14/h8-10,14,20,25H,5-7,11H2,1-4H3/t14-,20?/m1/s1
InChIKeyNEHDVWNRKXTEFA-QMRFKDRMSA-N
XLogP3.28
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
CID 169066845
[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol
CID 176945813
tert-butyl 3-[hydroxy-[6-(2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]methyl]azepane-1-carboxylate
CID 170226535
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
(S)-1-azabicyclo[2.2.2]octan-3-yl-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
CID 170214288
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
6-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586047
2-[6-[hydroxy-(1-methylpiperidin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066771
5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol
CID 170381589
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
CID 83855822

Frequently Asked Questions

What is the IUPAC name of [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol (CID 170226586) is [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol is COc1cc(C)c(F)cc1-c1nnc(C(O)[C@@H]2CCCN(C)C2)cc1C.
What is the InChIKey of [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol?
The InChIKey is NEHDVWNRKXTEFA-QMRFKDRMSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-12-9-18(26-4)15(10-16(12)21)19-13(2)8-17(22-23-19)20(25)14-6-5-7-24(3)11-14/h8-10,14,20,25H,5-7,11H2,1-4H3/t14-,20?/m1/s1.
What are the key properties of [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol?
[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol has a molecular weight of 359.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 170226586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).