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

C65H68N20O3 — CID 165040048

IUPAC2-[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
SMILESCC1CCCN(c2ccc(-c3ncc(Nc4cccnc4)cc3O)nn2)C1.Cc1cn2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cnc2n1.Cc1cn2cc(-c3cnc(-c4ccc(N5C[C@H](C)C[C@H](C)C5)nn4)c(O)c3)cnc2n1
InChIInChI=1S/C23H25N7O.C22H21N7O.C20H22N6O/c1-14-6-15(2)11-29(10-14)21-5-4-19(27-28-21)22-20(31)7-17(8-24-22)18-9-25-23-26-16(3)12-30(23)13-18;1-13-10-28-12-16(9-24-22(28)25-13)15-7-19(30)21(23-8-15)18-4-5-20(27-26-18)29-11-14-2-3-17(29)6-14;1-14-4-3-9-26(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/h4-5,7-9,12-15,31H,6,10-11H2,1-3H3;4-5,7-10,12,14,17,30H,2-3,6,11H2,1H3;2,5-8,10-12,14,23,27H,3-4,9,13H2,1H3/t14-,15+;;
InChIKeyNYYNLKIDEOKPCU-JSXJMZBESA-N
MW1177.40 g/mol
LogP10.61
Rot. Bonds10

About 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

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 (PubChem CID 165040048) has the molecular formula C65H68N20O3 and a molecular weight of 1177.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID165040048
Molecular FormulaC65H68N20O3
Molecular Weight1177.40 g/mol
Exact Mass1176.58
IUPAC Name2-[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
SMILESCC1CCCN(c2ccc(-c3ncc(Nc4cccnc4)cc3O)nn2)C1.Cc1cn2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cnc2n1.Cc1cn2cc(-c3cnc(-c4ccc(N5C[C@H](C)C[C@H](C)C5)nn4)c(O)c3)cnc2n1
InChIInChI=1S/C23H25N7O.C22H21N7O.C20H22N6O/c1-14-6-15(2)11-29(10-14)21-5-4-19(27-28-21)22-20(31)7-17(8-24-22)18-9-25-23-26-16(3)12-30(23)13-18;1-13-10-28-12-16(9-24-22(28)25-13)15-7-19(30)21(23-8-15)18-4-5-20(27-26-18)29-11-14-2-3-17(29)6-14;1-14-4-3-9-26(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/h4-5,7-9,12-15,31H,6,10-11H2,1-3H3;4-5,7-10,12,14,17,30H,2-3,6,11H2,1H3;2,5-8,10-12,14,23,27H,3-4,9,13H2,1H3/t14-,15+;;
InChIKeyNYYNLKIDEOKPCU-JSXJMZBESA-N
XLogP10.61
TPSA271.72 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.40
LogP ≤ 510.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
CID 165040050
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
CID 165040049
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
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
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 165083380
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
CID 164958526
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
CID 165068279
2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 165053503
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-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287118
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCN(c2ccc(-c3ncc(Nc4cccnc4)cc3O)nn2)C1.Cc1cn2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cnc2n1.Cc1cn2cc(-c3cnc(-c4ccc(N5C[C@H](C)C[C@H](C)C5)nn4)c(O)c3)cnc2n1.
What is the InChIKey of 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?
The InChIKey is NYYNLKIDEOKPCU-JSXJMZBESA-N. The full InChI is InChI=1S/C23H25N7O.C22H21N7O.C20H22N6O/c1-14-6-15(2)11-29(10-14)21-5-4-19(27-28-21)22-20(31)7-17(8-24-22)18-9-25-23-26-16(3)12-30(23)13-18;1-13-10-28-12-16(9-24-22(28)25-13)15-7-19(30)21(23-8-15)18-4-5-20(27-26-18)29-11-14-2-3-17(29)6-14;1-14-4-3-9-26(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/h4-5,7-9,12-15,31H,6,10-11H2,1-3H3;4-5,7-10,12,14,17,30H,2-3,6,11H2,1H3;2,5-8,10-12,14,23,27H,3-4,9,13H2,1H3/t14-,15+;;.
What are the key properties of 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?
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 has a molecular weight of 1177.40 g/mol, XLogP of 10.61, 10 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165040048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).