5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole

C109H108Cl4F4N18O10 — CID 157414257

IUPAC5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCN(C)CC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCNCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1
InChIInChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.C27H27ClFN5O2.C26H24ClFN4O3/c1-17-14-31-16-23(29)28(17)18(2)36-21-5-6-25-22(12-21)26(34-33-25)13-24(30)19-4-7-27(32-15-19)37-20-8-10-35(3)11-9-20;1-17-13-31-15-23(29)28(17)18(2)37-21-4-5-25-22(11-21)26(34-33-25)12-24(30)20-3-6-27(32-14-20)36-16-19-7-9-35-10-8-19;1-16-13-31-15-22(28)27(16)17(2)35-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(32-14-18)36-19-7-9-30-10-8-19;1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h4-7,12-16,18,20H,8-11H2,1-3H3,(H,33,34);3-6,11-15,18-19H,7-10,16H2,1-2H3,(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34);3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b24-13-;24-12-;23-12-;22-10-/t2*18-;17-;16-,19-/m1111/s1
InChIKeyBOQQTWJLHMZBLI-NOPIAZAHSA-N
MW2047.98 g/mol
LogP25.27
Rot. Bonds29

About 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole

5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole (PubChem CID 157414257) has the molecular formula C109H108Cl4F4N18O10 and a molecular weight of 2047.98 g/mol. Its IUPAC name is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole
PubChem CID157414257
Molecular FormulaC109H108Cl4F4N18O10
Molecular Weight2047.98 g/mol
Exact Mass2044.72
IUPAC Name5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCN(C)CC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCNCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1
InChIInChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.C27H27ClFN5O2.C26H24ClFN4O3/c1-17-14-31-16-23(29)28(17)18(2)36-21-5-6-25-22(12-21)26(34-33-25)13-24(30)19-4-7-27(32-15-19)37-20-8-10-35(3)11-9-20;1-17-13-31-15-23(29)28(17)18(2)37-21-4-5-25-22(11-21)26(34-33-25)12-24(30)20-3-6-27(32-14-20)36-16-19-7-9-35-10-8-19;1-16-13-31-15-22(28)27(16)17(2)35-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(32-14-18)36-19-7-9-30-10-8-19;1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h4-7,12-16,18,20H,8-11H2,1-3H3,(H,33,34);3-6,11-15,18-19H,7-10,16H2,1-2H3,(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34);3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b24-13-;24-12-;23-12-;22-10-/t2*18-;17-;16-,19-/m1111/s1
InChIKeyBOQQTWJLHMZBLI-NOPIAZAHSA-N
XLogP25.27
TPSA325.41 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.98
LogP ≤ 525.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole?
The IUPAC name of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole (CID 157414257) is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole?
The canonical SMILES for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole is Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCN(C)CC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OC4CCNCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(OCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1.
What is the InChIKey of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole?
The InChIKey is BOQQTWJLHMZBLI-NOPIAZAHSA-N. The full InChI is InChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.C27H27ClFN5O2.C26H24ClFN4O3/c1-17-14-31-16-23(29)28(17)18(2)36-21-5-6-25-22(12-21)26(34-33-25)13-24(30)19-4-7-27(32-15-19)37-20-8-10-35(3)11-9-20;1-17-13-31-15-23(29)28(17)18(2)37-21-4-5-25-22(11-21)26(34-33-25)12-24(30)20-3-6-27(32-14-20)36-16-19-7-9-35-10-8-19;1-16-13-31-15-22(28)27(16)17(2)35-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(32-14-18)36-19-7-9-30-10-8-19;1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h4-7,12-16,18,20H,8-11H2,1-3H3,(H,33,34);3-6,11-15,18-19H,7-10,16H2,1-2H3,(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34);3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b24-13-;24-12-;23-12-;22-10-/t2*18-;17-;16-,19-/m1111/s1.
What are the key properties of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole?
5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole has a molecular weight of 2047.98 g/mol, XLogP of 25.27, 29 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole;5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole is sourced from PubChem (CID 157414257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).