5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole

C62H60Cl4N8O2 — CID 145256559

IUPAC5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCC(c5ccccc5)CC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C34H32Cl2N4O.C28H28Cl2N4O/c1-23(34-30(35)20-37-21-31(34)36)41-28-12-14-33-29(19-28)32(38-39-33)13-11-24-7-9-25(10-8-24)22-40-17-15-27(16-18-40)26-5-3-2-4-6-26;1-19(28-24(29)16-31-17-25(28)30)35-22-10-12-27-23(15-22)26(32-33-27)11-9-20-5-7-21(8-6-20)18-34-13-3-2-4-14-34/h2-14,19-21,23,27H,15-18,22H2,1H3,(H,38,39);5-12,15-17,19H,2-4,13-14,18H2,1H3,(H,32,33)/b13-11+;11-9+
InChIKeyMJWSQRYRIFEIFD-QCROHTAKSA-N
MW1091.03 g/mol
LogP16.52
Rot. Bonds15

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole (PubChem CID 145256559) has the molecular formula C62H60Cl4N8O2 and a molecular weight of 1091.03 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole
PubChem CID145256559
Molecular FormulaC62H60Cl4N8O2
Molecular Weight1091.03 g/mol
Exact Mass1088.36
IUPAC Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCC(c5ccccc5)CC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C34H32Cl2N4O.C28H28Cl2N4O/c1-23(34-30(35)20-37-21-31(34)36)41-28-12-14-33-29(19-28)32(38-39-33)13-11-24-7-9-25(10-8-24)22-40-17-15-27(16-18-40)26-5-3-2-4-6-26;1-19(28-24(29)16-31-17-25(28)30)35-22-10-12-27-23(15-22)26(32-33-27)11-9-20-5-7-21(8-6-20)18-34-13-3-2-4-14-34/h2-14,19-21,23,27H,15-18,22H2,1H3,(H,38,39);5-12,15-17,19H,2-4,13-14,18H2,1H3,(H,32,33)/b13-11+;11-9+
InChIKeyMJWSQRYRIFEIFD-QCROHTAKSA-N
XLogP16.52
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.03
LogP ≤ 516.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole (CID 145256559) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCC(c5ccccc5)CC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole?
The InChIKey is MJWSQRYRIFEIFD-QCROHTAKSA-N. The full InChI is InChI=1S/C34H32Cl2N4O.C28H28Cl2N4O/c1-23(34-30(35)20-37-21-31(34)36)41-28-12-14-33-29(19-28)32(38-39-33)13-11-24-7-9-25(10-8-24)22-40-17-15-27(16-18-40)26-5-3-2-4-6-26;1-19(28-24(29)16-31-17-25(28)30)35-22-10-12-27-23(15-22)26(32-33-27)11-9-20-5-7-21(8-6-20)18-34-13-3-2-4-14-34/h2-14,19-21,23,27H,15-18,22H2,1H3,(H,38,39);5-12,15-17,19H,2-4,13-14,18H2,1H3,(H,32,33)/b13-11+;11-9+.
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole?
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole has a molecular weight of 1091.03 g/mol, XLogP of 16.52, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole is sourced from PubChem (CID 145256559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).