2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol

C20H22N6O — CID 165040049

IUPAC2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
SMILESCC1CCCN(c2ccc(-c3ncc(Nc4cccnc4)cc3O)nn2)C1
InChIInChI=1S/C20H22N6O/c1-14-4-3-9-26(13-14)19-7-6-17(24-25-19)20-18(27)10-16(12-22-20)23-15-5-2-8-21-11-15/h2,5-8,10-12,14,23,27H,3-4,9,13H2,1H3
InChIKeyWRHVAENIBRTVLH-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.62
Rot. Bonds4

About 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol

2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol (PubChem CID 165040049) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
PubChem CID165040049
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
SMILESCC1CCCN(c2ccc(-c3ncc(Nc4cccnc4)cc3O)nn2)C1
InChIInChI=1S/C20H22N6O/c1-14-4-3-9-26(13-14)19-7-6-17(24-25-19)20-18(27)10-16(12-22-20)23-15-5-2-8-21-11-15/h2,5-8,10-12,14,23,27H,3-4,9,13H2,1H3
InChIKeyWRHVAENIBRTVLH-UHFFFAOYSA-N
XLogP3.62
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-4-ylmethylamino)pyridin-3-ol
CID 165038871
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-2-ylmethylamino)pyridin-3-ol
CID 165038873
2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol;2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol;2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
CID 165040048
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 165083380
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 165053503
4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide
CID 142678923
2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol
CID 164984253
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121071011

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol?
The IUPAC name of 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol (CID 165040049) is 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol.
What is the SMILES notation for 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol?
The canonical SMILES for 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol is CC1CCCN(c2ccc(-c3ncc(Nc4cccnc4)cc3O)nn2)C1.
What is the InChIKey of 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol?
The InChIKey is WRHVAENIBRTVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-4-3-9-26(13-14)19-7-6-17(24-25-19)20-18(27)10-16(12-22-20)23-15-5-2-8-21-11-15/h2,5-8,10-12,14,23,27H,3-4,9,13H2,1H3.
What are the key properties of 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol?
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol has a molecular weight of 362.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol is sourced from PubChem (CID 165040049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).