2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride

C24H29Cl2N7O2 — CID 169079942

About 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride

2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride (PubChem CID 169079942) has the molecular formula C24H29Cl2N7O2 and a molecular weight of 518.45 g/mol. Its IUPAC name is 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride.

Molecular Properties

• Compound Name: 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride
• PubChem CID: 169079942
• Molecular Formula: C24H29Cl2N7O2
• Molecular Weight: 518.45 g/mol
• Exact Mass: 517.18
• IUPAC Name: 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride
• SMILES: COc1cc(-c2cnc(-c3ccc(N4C[C@@H](C)N[C@H](C)C4)nn3)c(O)c2)cc2cn(C)nc12.Cl.Cl
• InChI: InChI=1S/C24H27N7O2.2ClH/c1-14-11-31(12-15(2)26-14)22-6-5-19(27-28-22)24-20(32)8-17(10-25-24)16-7-18-13-30(3)29-23(18)21(9-16)33-4;;/h5-10,13-15,26,32H,11-12H2,1-4H3;2*1H/t14-,15-;;/m1../s1
• InChIKey: FIDIKGXYLKWZCG-FXUMYAARSA-N
• XLogP: 3.84
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.45
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride?

The IUPAC name of 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) is 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride.

What is the SMILES notation for 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride?

The canonical SMILES for 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride is COc1cc(-c2cnc(-c3ccc(N4C[C@@H](C)N[C@H](C)C4)nn3)c(O)c2)cc2cn(C)nc12.Cl.Cl.

What is the InChIKey of 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride?

The InChIKey is FIDIKGXYLKWZCG-FXUMYAARSA-N. The full InChI is InChI=1S/C24H27N7O2.2ClH/c1-14-11-31(12-15(2)26-14)22-6-5-19(27-28-22)24-20(32)8-17(10-25-24)16-7-18-13-30(3)29-23(18)21(9-16)33-4;;/h5-10,13-15,26,32H,11-12H2,1-4H3;2*1H/t14-,15-;;/m1../s1.

What are the key properties of 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride?

2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride has a molecular weight of 518.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 169079942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).