[3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol

C37H39N3O3 — CID 166835810

IUPAC[3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol
SMILESC=C(CCN(Cc1ccccc1)Cc1ccccc1)Oc1ccc2c(c1)c(-c1cccc(CO)c1)nn2C1CCCCO1
InChIInChI=1S/C37H39N3O3/c1-28(20-21-39(25-29-11-4-2-5-12-29)26-30-13-6-3-7-14-30)43-33-18-19-35-34(24-33)37(32-16-10-15-31(23-32)27-41)38-40(35)36-17-8-9-22-42-36/h2-7,10-16,18-19,23-24,36,41H,1,8-9,17,20-22,25-27H2
InChIKeyGBJXGMNQXCLRSD-UHFFFAOYSA-N
MW573.74 g/mol
LogP7.88
Rot. Bonds12

About [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol

[3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol (PubChem CID 166835810) has the molecular formula C37H39N3O3 and a molecular weight of 573.74 g/mol. Its IUPAC name is [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol
PubChem CID166835810
Molecular FormulaC37H39N3O3
Molecular Weight573.74 g/mol
Exact Mass573.30
IUPAC Name[3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol
SMILESC=C(CCN(Cc1ccccc1)Cc1ccccc1)Oc1ccc2c(c1)c(-c1cccc(CO)c1)nn2C1CCCCO1
InChIInChI=1S/C37H39N3O3/c1-28(20-21-39(25-29-11-4-2-5-12-29)26-30-13-6-3-7-14-30)43-33-18-19-35-34(24-33)37(32-16-10-15-31(23-32)27-41)38-40(35)36-17-8-9-22-42-36/h2-7,10-16,18-19,23-24,36,41H,1,8-9,17,20-22,25-27H2
InChIKeyGBJXGMNQXCLRSD-UHFFFAOYSA-N
XLogP7.88
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(3-chlorophenoxy)-1-(oxan-2-yl)indazol-3-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90462996
5-[5-[3-(2-hydroxyethoxy)propoxy]-1-(oxan-2-yl)indazol-3-yl]pyridin-3-ol
CID 165127050
1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
CID 69421898
benzyl N-[(2R)-2-fluoro-3-[3-[6-(hydroxymethyl)pyrazin-2-yl]-1-(oxan-2-yl)indazol-5-yl]oxypropyl]carbamate
CID 167524271
methyl 3-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]benzoate
CID 135298188
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
CID 166835900
5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
CID 172739208
1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-ol
CID 165127144
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane
CID 174203451
1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole
CID 165127830
2,2-difluoro-2-[1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indazol-5-yl]oxyacetic acid
CID 165127799
3-[(3R)-3-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]oxybutoxy]propan-1-ol
CID 165127682

Frequently Asked Questions

What is the IUPAC name of [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol (CID 166835810) is [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol is C=C(CCN(Cc1ccccc1)Cc1ccccc1)Oc1ccc2c(c1)c(-c1cccc(CO)c1)nn2C1CCCCO1.
What is the InChIKey of [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol?
The InChIKey is GBJXGMNQXCLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O3/c1-28(20-21-39(25-29-11-4-2-5-12-29)26-30-13-6-3-7-14-30)43-33-18-19-35-34(24-33)37(32-16-10-15-31(23-32)27-41)38-40(35)36-17-8-9-22-42-36/h2-7,10-16,18-19,23-24,36,41H,1,8-9,17,20-22,25-27H2.
What are the key properties of [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol?
[3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol has a molecular weight of 573.74 g/mol, XLogP of 7.88, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[4-(dibenzylamino)but-1-en-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]phenyl]methanol is sourced from PubChem (CID 166835810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).