1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol

C24H22F2N8O — CID 168992092

About 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol

1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol (PubChem CID 168992092) has the molecular formula C24H22F2N8O and a molecular weight of 476.49 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
• PubChem CID: 168992092
• Molecular Formula: C24H22F2N8O
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.19
• IUPAC Name: 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
• SMILES: Cc1ccc(Nc2ccc3c(c2)ncn3-c2ccc(C(C)O)c(-n3nc(C(F)F)cc3C)n2)nn1
• InChI: InChI=1S/C24H22F2N8O/c1-13-4-8-21(31-30-13)28-16-5-7-20-18(11-16)27-12-33(20)22-9-6-17(15(3)35)24(29-22)34-14(2)10-19(32-34)23(25)26/h4-12,15,23,35H,1-3H3,(H,28,31)
• InChIKey: XVNPLGSGZINIEZ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 106.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol?

The IUPAC name of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol (CID 168992092) is 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol.

What is the SMILES notation for 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol?

The canonical SMILES for 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol is Cc1ccc(Nc2ccc3c(c2)ncn3-c2ccc(C(C)O)c(-n3nc(C(F)F)cc3C)n2)nn1.

What is the InChIKey of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol?

The InChIKey is XVNPLGSGZINIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O/c1-13-4-8-21(31-30-13)28-16-5-7-20-18(11-16)27-12-33(20)22-9-6-17(15(3)35)24(29-22)34-14(2)10-19(32-34)23(25)26/h4-12,15,23,35H,1-3H3,(H,28,31).

What are the key properties of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol?

1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol has a molecular weight of 476.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 168992092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).