1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride

C24H27F8N5O2 — CID 161050931

About 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride

1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride (PubChem CID 161050931) has the molecular formula C24H27F8N5O2 and a molecular weight of 569.50 g/mol. Its IUPAC name is 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride.

Molecular Properties

• Compound Name: 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride
• PubChem CID: 161050931
• Molecular Formula: C24H27F8N5O2
• Molecular Weight: 569.50 g/mol
• Exact Mass: 569.20
• IUPAC Name: 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride
• SMILES: Cc1cc(CCC(O)Cc2ccnc(OCC3CC3(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F.F.FCF
• InChI: InChI=1S/C23H24F5N5O2.CH2F2.FH/c1-13-7-16(30-31-20(13)18-11-33(2)32-21(18)23(26,27)28)3-4-17(34)8-14-5-6-29-19(9-14)35-12-15-10-22(15,24)25;2-1-3;/h5-7,9,11,15,17,34H,3-4,8,10,12H2,1-2H3;1H2;1H
• InChIKey: UCCZBRHBAUFLAH-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.50
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride?

The IUPAC name of 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride (CID 161050931) is 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride.

What is the SMILES notation for 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride?

The canonical SMILES for 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride is Cc1cc(CCC(O)Cc2ccnc(OCC3CC3(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F.F.FCF.

What is the InChIKey of 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride?

The InChIKey is UCCZBRHBAUFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N5O2.CH2F2.FH/c1-13-7-16(30-31-20(13)18-11-33(2)32-21(18)23(26,27)28)3-4-17(34)8-14-5-6-29-19(9-14)35-12-15-10-22(15,24)25;2-1-3;/h5-7,9,11,15,17,34H,3-4,8,10,12H2,1-2H3;1H2;1H.

What are the key properties of 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride?

1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride has a molecular weight of 569.50 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride is sourced from PubChem (CID 161050931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).