2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol

C34H36N6O2 — CID 134230937

IUPAC2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol
SMILESCc1c(-c2cccc(-n3cc4ccc(CNCCO)cc4n3)c2C)cccc1-n1cc2ccc(CNCCO)cc2n1
InChIInChI=1S/C34H36N6O2/c1-23-29(5-3-7-33(23)39-21-27-11-9-25(17-31(27)37-39)19-35-13-15-41)30-6-4-8-34(24(30)2)40-22-28-12-10-26(18-32(28)38-40)20-36-14-16-42/h3-12,17-18,21-22,35-36,41-42H,13-16,19-20H2,1-2H3
InChIKeyDFRDMGMFLVVIBA-UHFFFAOYSA-N
MW560.70 g/mol
LogP4.81
Rot. Bonds11

About 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol

2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol (PubChem CID 134230937) has the molecular formula C34H36N6O2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol
PubChem CID134230937
Molecular FormulaC34H36N6O2
Molecular Weight560.70 g/mol
Exact Mass560.29
IUPAC Name2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol
SMILESCc1c(-c2cccc(-n3cc4ccc(CNCCO)cc4n3)c2C)cccc1-n1cc2ccc(CNCCO)cc2n1
InChIInChI=1S/C34H36N6O2/c1-23-29(5-3-7-33(23)39-21-27-11-9-25(17-31(27)37-39)19-35-13-15-41)30-6-4-8-34(24(30)2)40-22-28-12-10-26(18-32(28)38-40)20-36-14-16-42/h3-12,17-18,21-22,35-36,41-42H,13-16,19-20H2,1-2H3
InChIKeyDFRDMGMFLVVIBA-UHFFFAOYSA-N
XLogP4.81
TPSA100.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol (CID 134230937) is 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol is Cc1c(-c2cccc(-n3cc4ccc(CNCCO)cc4n3)c2C)cccc1-n1cc2ccc(CNCCO)cc2n1.
What is the InChIKey of 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol?
The InChIKey is DFRDMGMFLVVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O2/c1-23-29(5-3-7-33(23)39-21-27-11-9-25(17-31(27)37-39)19-35-13-15-41)30-6-4-8-34(24(30)2)40-22-28-12-10-26(18-32(28)38-40)20-36-14-16-42/h3-12,17-18,21-22,35-36,41-42H,13-16,19-20H2,1-2H3.
What are the key properties of 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol?
2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol has a molecular weight of 560.70 g/mol, XLogP of 4.81, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[3-[6-[(2-hydroxyethylamino)methyl]indazol-2-yl]-2-methylphenyl]-2-methylphenyl]indazol-6-yl]methylamino]ethanol is sourced from PubChem (CID 134230937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).