6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole

C₅₅H₅₆Cl₄F₂N₁₀O₇S₂ — CID 176890257

About 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole

6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole (PubChem CID 176890257) has the molecular formula C₅₅H₅₆Cl₄F₂N₁₀O₇S₂ and a molecular weight of 1213.06 g/mol. Its IUPAC name is 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole.

Molecular Properties

• Compound Name: 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole
• PubChem CID: 176890257
• Molecular Formula: C₅₅H₅₆Cl₄F₂N₁₀O₇S₂
• Molecular Weight: 1213.06 g/mol
• Exact Mass: 1210.25
• IUPAC Name: 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole
• SMILES: C[C@@H](Oc1ccc2c(-c3cnc(N4C[C@@H](CS(C)(=O)=O)[C@@H]4C)c(F)c3)n[nH]c2c1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2c(c1)c(-c1cnc(N3C[C@@H](CS(C)(=O)=O)[C@@H]3C)c(F)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C30H32Cl2FN5O4S.C25H24Cl2FN5O3S/c1-17-20(16-43(3,39)40)15-37(17)30-25(33)10-19(12-35-30)29-22-11-21(42-18(2)28-23(31)13-34-14-24(28)32)7-8-26(22)38(36-29)27-6-4-5-9-41-27;1-13-16(12-37(3,34)35)11-33(13)25-21(28)6-15(8-30-25)24-18-5-4-17(7-22(18)31-32-24)36-14(2)23-19(26)9-29-10-20(23)27/h7-8,10-14,17-18,20,27H,4-6,9,15-16H2,1-3H3;4-10,13-14,16H,11-12H2,1-3H3,(H,31,32)/t17-,18+,20-,27?;13-,14+,16-/m00/s1
• InChIKey: DCIOPDBSQGWHFG-PJHDNTCWSA-N
• XLogP: 12.12
• TPSA: 200.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1213.06
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole?

The IUPAC name of 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole (CID 176890257) is 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole.

What is the SMILES notation for 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole?

The canonical SMILES for 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole is C[C@@H](Oc1ccc2c(-c3cnc(N4C[C@@H](CS(C)(=O)=O)[C@@H]4C)c(F)c3)n[nH]c2c1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2c(c1)c(-c1cnc(N3C[C@@H](CS(C)(=O)=O)[C@@H]3C)c(F)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.

What is the InChIKey of 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole?

The InChIKey is DCIOPDBSQGWHFG-PJHDNTCWSA-N. The full InChI is InChI=1S/C30H32Cl2FN5O4S.C25H24Cl2FN5O3S/c1-17-20(16-43(3,39)40)15-37(17)30-25(33)10-19(12-35-30)29-22-11-21(42-18(2)28-23(31)13-34-14-24(28)32)7-8-26(22)38(36-29)27-6-4-5-9-41-27;1-13-16(12-37(3,34)35)11-33(13)25-21(28)6-15(8-30-25)24-18-5-4-17(7-22(18)31-32-24)36-14(2)23-19(26)9-29-10-20(23)27/h7-8,10-14,17-18,20,27H,4-6,9,15-16H2,1-3H3;4-10,13-14,16H,11-12H2,1-3H3,(H,31,32)/t17-,18+,20-,27?;13-,14+,16-/m00/s1.

What are the key properties of 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole?

6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole has a molecular weight of 1213.06 g/mol, XLogP of 12.12, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-fluoro-6-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 176890257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176890257 — identifiers, structure, computed properties (public domain)

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