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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine

C110H111Cl4F4N19O9 — CID 157282609

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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCOCC4)nc3)c2c1.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
InChIInChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.2C27H27ClFN5O2/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;1-16-13-30-15-22(28)27(16)17(2)36-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(31-14-18)32-19-7-9-35-10-8-19;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/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);3-6,11-15,17,19H,7-10H2,1-2H3,(H,31,32)(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34)/b24-13-;24-12-;2*23-12-/t2*18-;2*17-/m1111/s1
InChIKeyAZVNAYPBNHPLGO-HNUNHOACSA-N
MW2061.03 g/mol
LogP25.69
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine

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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 157282609) has the molecular formula C110H111Cl4F4N19O9 and a molecular weight of 2061.03 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine.

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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID157282609
Molecular FormulaC110H111Cl4F4N19O9
Molecular Weight2061.03 g/mol
Exact Mass2057.75
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCOCC4)nc3)c2c1.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
InChIInChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.2C27H27ClFN5O2/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;1-16-13-30-15-22(28)27(16)17(2)36-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(31-14-18)32-19-7-9-35-10-8-19;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/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);3-6,11-15,17,19H,7-10H2,1-2H3,(H,31,32)(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34)/b24-13-;24-12-;2*23-12-/t2*18-;2*17-/m1111/s1
InChIKeyAZVNAYPBNHPLGO-HNUNHOACSA-N
XLogP25.69
TPSA328.21 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.03
LogP ≤ 525.69
H-Bond Donors ≤ 56
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine?
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine (CID 157282609) 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine.
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine?
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine is Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCOCC4)nc3)c2c1.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.
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is AZVNAYPBNHPLGO-HNUNHOACSA-N. The full InChI is InChI=1S/C28H29ClFN5O2.C28H28ClFN4O3.2C27H27ClFN5O2/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;1-16-13-30-15-22(28)27(16)17(2)36-20-4-5-24-21(11-20)25(34-33-24)12-23(29)18-3-6-26(31-14-18)32-19-7-9-35-10-8-19;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/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);3-6,11-15,17,19H,7-10H2,1-2H3,(H,31,32)(H,33,34);3-6,11-15,17,19,30H,7-10H2,1-2H3,(H,33,34)/b24-13-;24-12-;2*23-12-/t2*18-;2*17-/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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine?
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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 2061.03 g/mol, XLogP of 25.69, 29 rotatable bonds, 6 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-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole;5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 157282609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).