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

IUPAC6-[(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
SMILESC[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
InChIInChI=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
InChIKeyDCIOPDBSQGWHFG-PJHDNTCWSA-N
MW1213.06 g/mol
LogP12.12
Rot. Bonds15

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 Name6-[(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 CID176890257
Molecular FormulaC55H56Cl4F2N10O7S2
Molecular Weight1213.06 g/mol
Exact Mass1210.25
IUPAC Name6-[(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
SMILESC[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
InChIInChI=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
InChIKeyDCIOPDBSQGWHFG-PJHDNTCWSA-N
XLogP12.12
TPSA200.51 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.06
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(2-chloropyrimidin-5-yl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 169101649
2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-ol
CID 170708748
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156565616
5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-[3-(dimethylphosphorylmethyl)-3-methylazetidin-1-yl]pyridine-3-carbonitrile
CID 177249712
methyl 3-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]benzoate
CID 135298188
1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-N-methylmethanimine
CID 170288490
CID 171408859
CID 171408859
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156578188
1-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]pyridazin-3-yl]-3-[(1-methylpyrazol-3-yl)methyl]azetidin-3-amine
CID 170708915
[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-diethoxyphosphorylmethanol
CID 134593757
5-[(1R)-1-(3,5-difluoro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole
CID 154728740
5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-1-(oxan-2-yl)indazol-3-yl]-2-fluoropyridine-3-carbonitrile
CID 170708726

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).