4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide

C24H20Cl2N4O3 — CID 134593643

IUPAC4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide
SMILESC/C(O)=C/NC(=O)c1ccc(-c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cc1
InChIInChI=1S/C24H20Cl2N4O3/c1-13(31)10-28-24(32)16-5-3-15(4-6-16)23-18-9-17(7-8-21(18)29-30-23)33-14(2)22-19(25)11-27-12-20(22)26/h3-12,14,31H,1-2H3,(H,28,32)(H,29,30)/b13-10-
InChIKeyZDRIJQRLFYPBPU-RAXLEYEMSA-N
MW483.36 g/mol
LogP6.22
Rot. Bonds6

About 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide

4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide (PubChem CID 134593643) has the molecular formula C24H20Cl2N4O3 and a molecular weight of 483.36 g/mol. Its IUPAC name is 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide.

Molecular Properties

Compound Name4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide
PubChem CID134593643
Molecular FormulaC24H20Cl2N4O3
Molecular Weight483.36 g/mol
Exact Mass482.09
IUPAC Name4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide
SMILESC/C(O)=C/NC(=O)c1ccc(-c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cc1
InChIInChI=1S/C24H20Cl2N4O3/c1-13(31)10-28-24(32)16-5-3-15(4-6-16)23-18-9-17(7-8-21(18)29-30-23)33-14(2)22-19(25)11-27-12-20(22)26/h3-12,14,31H,1-2H3,(H,28,32)(H,29,30)/b13-10-
InChIKeyZDRIJQRLFYPBPU-RAXLEYEMSA-N
XLogP6.22
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 135298138
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-hydroxy-1H-indazole-3-carboxamide
CID 156577995
[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 162311753
[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 156565634
[5-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 156577934
5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
CID 137133132
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
CID 174222780
[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 171408692
7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 166462287
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 170647464
(3R)-3-tert-butyl-6-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 176890273

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide?
The IUPAC name of 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide (CID 134593643) is 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide.
What is the SMILES notation for 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide?
The canonical SMILES for 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide is C/C(O)=C/NC(=O)c1ccc(-c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cc1.
What is the InChIKey of 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide?
The InChIKey is ZDRIJQRLFYPBPU-RAXLEYEMSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3/c1-13(31)10-28-24(32)16-5-3-15(4-6-16)23-18-9-17(7-8-21(18)29-30-23)33-14(2)22-19(25)11-27-12-20(22)26/h3-12,14,31H,1-2H3,(H,28,32)(H,29,30)/b13-10-.
What are the key properties of 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide?
4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide has a molecular weight of 483.36 g/mol, XLogP of 6.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide is sourced from PubChem (CID 134593643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).