2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

C19H22N6O — CID 165053503

IUPAC2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC[C@@H]1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1
InChIInChI=1S/C19H22N6O/c1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyNDXLDBLWTZJXNB-CYBMUJFWSA-N
MW350.43 g/mol
LogP3.26
Rot. Bonds4

About 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 165053503) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
PubChem CID165053503
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC[C@@H]1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1
InChIInChI=1S/C19H22N6O/c1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyNDXLDBLWTZJXNB-CYBMUJFWSA-N
XLogP3.26
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287118
2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride
CID 155287252
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167504154
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 165083380
5-[(5-methylpyrazin-2-yl)amino]-2-[6-[(3R)-3-propan-2-ylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-[(2-methylpyrimidin-5-yl)amino]-2-[6-[(3R)-3-propan-2-ylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 164978917
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-4-ylmethylamino)pyridin-3-ol
CID 165038871
2-[6-[(3aR)-2-(2-hydroxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155082853
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877
2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
CID 155287188
1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine
CID 163883273
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-2-ylmethylamino)pyridin-3-ol
CID 165038873

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (CID 165053503) is 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is CC[C@@H]1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1.
What is the InChIKey of 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The InChIKey is NDXLDBLWTZJXNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 350.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 165053503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).