3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole

C117H116Cl8N16O4 — CID 158692362

IUPAC3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNc4ccccc4)cc3)c2c1)c1c(Cl)cncc1Cl.CC1CCCN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.CCC1CCCN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1
InChIInChI=1S/C30H32Cl2N4O.2C29H30Cl2N4O.C29H24Cl2N4O/c1-3-21-5-4-14-36(18-21)19-23-8-6-22(7-9-23)10-12-28-25-15-24(11-13-29(25)35-34-28)37-20(2)30-26(31)16-33-17-27(30)32;1-19-4-3-13-35(17-19)18-22-7-5-21(6-8-22)9-11-27-24-14-23(10-12-28(24)34-33-27)36-20(2)29-25(30)15-32-16-26(29)31;1-20(29-25(30)17-32-18-26(29)31)36-23-11-13-28-24(16-23)27(33-34-28)12-10-21-6-8-22(9-7-21)19-35-14-4-2-3-5-15-35;1-19(29-25(30)17-32-18-26(29)31)36-23-12-14-28-24(15-23)27(34-35-28)13-11-20-7-9-21(10-8-20)16-33-22-5-3-2-4-6-22/h6-13,15-17,20-21H,3-5,14,18-19H2,1-2H3,(H,34,35);5-12,14-16,19-20H,3-4,13,17-18H2,1-2H3,(H,33,34);6-13,16-18,20H,2-5,14-15,19H2,1H3,(H,33,34);2-15,17-19,33H,16H2,1H3,(H,34,35)/b12-10+;11-9+;12-10+;13-11+
InChIKeyIGMYVFUMADREJN-SLRKKJFOSA-N
MW2093.95 g/mol
LogP32.14
Rot. Bonds30

About 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole

3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole (PubChem CID 158692362) has the molecular formula C117H116Cl8N16O4 and a molecular weight of 2093.95 g/mol. Its IUPAC name is 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole
PubChem CID158692362
Molecular FormulaC117H116Cl8N16O4
Molecular Weight2093.95 g/mol
Exact Mass2088.69
IUPAC Name3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNc4ccccc4)cc3)c2c1)c1c(Cl)cncc1Cl.CC1CCCN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.CCC1CCCN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1
InChIInChI=1S/C30H32Cl2N4O.2C29H30Cl2N4O.C29H24Cl2N4O/c1-3-21-5-4-14-36(18-21)19-23-8-6-22(7-9-23)10-12-28-25-15-24(11-13-29(25)35-34-28)37-20(2)30-26(31)16-33-17-27(30)32;1-19-4-3-13-35(17-19)18-22-7-5-21(6-8-22)9-11-27-24-14-23(10-12-28(24)34-33-27)36-20(2)29-25(30)15-32-16-26(29)31;1-20(29-25(30)17-32-18-26(29)31)36-23-11-13-28-24(16-23)27(33-34-28)12-10-21-6-8-22(9-7-21)19-35-14-4-2-3-5-15-35;1-19(29-25(30)17-32-18-26(29)31)36-23-12-14-28-24(15-23)27(34-35-28)13-11-20-7-9-21(10-8-20)16-33-22-5-3-2-4-6-22/h6-13,15-17,20-21H,3-5,14,18-19H2,1-2H3,(H,34,35);5-12,14-16,19-20H,3-4,13,17-18H2,1-2H3,(H,33,34);6-13,16-18,20H,2-5,14-15,19H2,1H3,(H,33,34);2-15,17-19,33H,16H2,1H3,(H,34,35)/b12-10+;11-9+;12-10+;13-11+
InChIKeyIGMYVFUMADREJN-SLRKKJFOSA-N
XLogP32.14
TPSA224.95 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.95
LogP ≤ 532.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole with MolForge

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Related Compounds

1-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]piperidin-4-ol
CID 134593748
bis(N-benzyl-N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]ethanamine);3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-N-methyl-1-phenylmethanamine;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazole
CID 158237424
N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]oxan-4-amine
CID 134593841
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole
CID 135298116
N-[[3-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]oxan-4-amine
CID 134593799
N-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593849
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole
CID 141279789
2-[4-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 122172910
4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine
CID 134593624
N-[[4-[(E)-2-[5-[1-(1-ethylpiperidin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-N-propylpropan-1-amine
CID 155420591
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-hydroxy-1H-indazole-3-carboxamide
CID 156577995
N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
CID 162373742

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole?
The IUPAC name of 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole (CID 158692362) is 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole.
What is the SMILES notation for 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole?
The canonical SMILES for 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNc4ccccc4)cc3)c2c1)c1c(Cl)cncc1Cl.CC1CCCN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.CCC1CCCN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.
What is the InChIKey of 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole?
The InChIKey is IGMYVFUMADREJN-SLRKKJFOSA-N. The full InChI is InChI=1S/C30H32Cl2N4O.2C29H30Cl2N4O.C29H24Cl2N4O/c1-3-21-5-4-14-36(18-21)19-23-8-6-22(7-9-23)10-12-28-25-15-24(11-13-29(25)35-34-28)37-20(2)30-26(31)16-33-17-27(30)32;1-19-4-3-13-35(17-19)18-22-7-5-21(6-8-22)9-11-27-24-14-23(10-12-28(24)34-33-27)36-20(2)29-25(30)15-32-16-26(29)31;1-20(29-25(30)17-32-18-26(29)31)36-23-11-13-28-24(16-23)27(33-34-28)12-10-21-6-8-22(9-7-21)19-35-14-4-2-3-5-15-35;1-19(29-25(30)17-32-18-26(29)31)36-23-12-14-28-24(15-23)27(34-35-28)13-11-20-7-9-21(10-8-20)16-33-22-5-3-2-4-6-22/h6-13,15-17,20-21H,3-5,14,18-19H2,1-2H3,(H,34,35);5-12,14-16,19-20H,3-4,13,17-18H2,1-2H3,(H,33,34);6-13,16-18,20H,2-5,14-15,19H2,1H3,(H,33,34);2-15,17-19,33H,16H2,1H3,(H,34,35)/b12-10+;11-9+;12-10+;13-11+.
What are the key properties of 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole?
3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole has a molecular weight of 2093.95 g/mol, XLogP of 32.14, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-(azepan-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-ethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]aniline;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole is sourced from PubChem (CID 158692362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).