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

C70H73F2N19O3 — CID 164958526

IUPAC2-[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
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1C.Cc1cn2cc(-c3cnc(-c4ccc(N5C[C@H](C)C[C@H](C)C5)nn4)c(O)c3)ccc2n1.Cn1cc2cc(-c3cnc(-c4ccc(N5CCCCC5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C24H26FN7O.C24H26N6O.C22H21FN6O/c1-14-11-32(12-15(2)31(14)4)22-6-5-20(27-28-22)24-21(33)9-17(10-26-24)16-7-18-13-30(3)29-23(18)19(25)8-16;1-15-8-16(2)12-29(11-15)23-7-5-20(27-28-23)24-21(31)9-19(10-25-24)18-4-6-22-26-17(3)13-30(22)14-18;1-28-13-16-9-14(10-17(23)21(16)27-28)15-11-19(30)22(24-12-15)18-5-6-20(26-25-18)29-7-3-2-4-8-29/h5-10,13-15,33H,11-12H2,1-4H3;4-7,9-10,13-16,31H,8,11-12H2,1-3H3;5-6,9-13,30H,2-4,7-8H2,1H3/t14-,15+;15-,16+;
InChIKeyBMVDEZIEKNEFNN-MYYCBVKNSA-N
MW1266.48 g/mol
LogP11.74
Rot. Bonds9

About 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

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 (PubChem CID 164958526) has the molecular formula C70H73F2N19O3 and a molecular weight of 1266.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164958526
Molecular FormulaC70H73F2N19O3
Molecular Weight1266.48 g/mol
Exact Mass1265.61
IUPAC Name2-[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
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1C.Cc1cn2cc(-c3cnc(-c4ccc(N5C[C@H](C)C[C@H](C)C5)nn4)c(O)c3)ccc2n1.Cn1cc2cc(-c3cnc(-c4ccc(N5CCCCC5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C24H26FN7O.C24H26N6O.C22H21FN6O/c1-14-11-32(12-15(2)31(14)4)22-6-5-20(27-28-22)24-21(33)9-17(10-26-24)16-7-18-13-30(3)29-23(18)19(25)8-16;1-15-8-16(2)12-29(11-15)23-7-5-20(27-28-23)24-21(31)9-19(10-25-24)18-4-6-22-26-17(3)13-30(22)14-18;1-28-13-16-9-14(10-17(23)21(16)27-28)15-11-19(30)22(24-12-15)18-5-6-20(26-25-18)29-7-3-2-4-8-29/h5-10,13-15,33H,11-12H2,1-4H3;4-7,9-10,13-16,31H,8,11-12H2,1-3H3;5-6,9-13,30H,2-4,7-8H2,1H3/t14-,15+;15-,16+;
InChIKeyBMVDEZIEKNEFNN-MYYCBVKNSA-N
XLogP11.74
TPSA242.60 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001266.48
LogP ≤ 511.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

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-(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
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 165083380
2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride
CID 169079942
5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol
CID 165029003
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
2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
CID 155287188
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-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287118
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887572
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
CID 168895636
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride
CID 156887571

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1C.Cc1cn2cc(-c3cnc(-c4ccc(N5C[C@H](C)C[C@H](C)C5)nn4)c(O)c3)ccc2n1.Cn1cc2cc(-c3cnc(-c4ccc(N5CCCCC5)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 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?
The InChIKey is BMVDEZIEKNEFNN-MYYCBVKNSA-N. The full InChI is InChI=1S/C24H26FN7O.C24H26N6O.C22H21FN6O/c1-14-11-32(12-15(2)31(14)4)22-6-5-20(27-28-22)24-21(33)9-17(10-26-24)16-7-18-13-30(3)29-23(18)19(25)8-16;1-15-8-16(2)12-29(11-15)23-7-5-20(27-28-23)24-21(31)9-19(10-25-24)18-4-6-22-26-17(3)13-30(22)14-18;1-28-13-16-9-14(10-17(23)21(16)27-28)15-11-19(30)22(24-12-15)18-5-6-20(26-25-18)29-7-3-2-4-8-29/h5-10,13-15,33H,11-12H2,1-4H3;4-7,9-10,13-16,31H,8,11-12H2,1-3H3;5-6,9-13,30H,2-4,7-8H2,1H3/t14-,15+;15-,16+;.
What are the key properties of 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?
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 has a molecular weight of 1266.48 g/mol, XLogP of 11.74, 9 rotatable bonds, 3 hydrogen bond donors, and 22 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-(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 is sourced from PubChem (CID 164958526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).