2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

C65H73FN18O3 — CID 164957954

IUPAC2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCCC1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.CCC1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(-c3ncc(/C=C/c4cnn(C)c4)cc3O)nn2)C1
InChIInChI=1S/C24H25FN6O.C22H26N6O.C19H22N6O/c1-3-15-5-4-8-31(13-15)22-7-6-20(27-28-22)24-21(32)11-17(12-26-24)16-9-18-14-30(2)29-23(18)19(25)10-16;1-15-8-16(2)13-28(12-15)21-7-6-19(25-26-21)22-20(29)9-17(10-23-22)4-5-18-11-24-27(3)14-18;1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h6-7,9-12,14-15,32H,3-5,8,13H2,1-2H3;4-7,9-11,14-16,29H,8,12-13H2,1-3H3;5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/b;5-4+;/t;15-,16+;
InChIKeyBKWPROPLKHNPRT-SKLZZDGISA-N
MW1173.42 g/mol
LogP11.45
Rot. Bonds12

About 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 164957954) has the molecular formula C65H73FN18O3 and a molecular weight of 1173.42 g/mol. Its IUPAC name is 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
PubChem CID164957954
Molecular FormulaC65H73FN18O3
Molecular Weight1173.42 g/mol
Exact Mass1172.61
IUPAC Name2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCCC1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.CCC1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(-c3ncc(/C=C/c4cnn(C)c4)cc3O)nn2)C1
InChIInChI=1S/C24H25FN6O.C22H26N6O.C19H22N6O/c1-3-15-5-4-8-31(13-15)22-7-6-20(27-28-22)24-21(32)11-17(12-26-24)16-9-18-14-30(2)29-23(18)19(25)10-16;1-15-8-16(2)13-28(12-15)21-7-6-19(25-26-21)22-20(29)9-17(10-23-22)4-5-18-11-24-27(3)14-18;1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h6-7,9-12,14-15,32H,3-5,8,13H2,1-2H3;4-7,9-11,14-16,29H,8,12-13H2,1-3H3;5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/b;5-4+;/t;15-,16+;
InChIKeyBKWPROPLKHNPRT-SKLZZDGISA-N
XLogP11.45
TPSA250.74 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.42
LogP ≤ 511.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol with MolForge

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Related Compounds

5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137034296
5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137057215
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137111610
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137281439
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137281479
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137308504
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137308831
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 138604392
5-(7-Fluoro-2-methylindazol-5-yl)-2-[6-(3-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 155287111
5-(7-Fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 155287121
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
CID 155287166
2-[6-[(5,5-Dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
CID 155287181

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (CID 164957954) is 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is CCC1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.CCC1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(-c3ncc(/C=C/c4cnn(C)c4)cc3O)nn2)C1.
What is the InChIKey of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The InChIKey is BKWPROPLKHNPRT-SKLZZDGISA-N. The full InChI is InChI=1S/C24H25FN6O.C22H26N6O.C19H22N6O/c1-3-15-5-4-8-31(13-15)22-7-6-20(27-28-22)24-21(32)11-17(12-26-24)16-9-18-14-30(2)29-23(18)19(25)10-16;1-15-8-16(2)13-28(12-15)21-7-6-19(25-26-21)22-20(29)9-17(10-23-22)4-5-18-11-24-27(3)14-18;1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h6-7,9-12,14-15,32H,3-5,8,13H2,1-2H3;4-7,9-11,14-16,29H,8,12-13H2,1-3H3;5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/b;5-4+;/t;15-,16+;.
What are the key properties of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 1173.42 g/mol, XLogP of 11.45, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 164957954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).