1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole

C23H28N4O3 — CID 165127830

IUPAC1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole
SMILESC=CCOCCOc1ccc2c(c1)c(-c1cnn(CC=C)c1)nn2C1CCCCO1
InChIInChI=1S/C23H28N4O3/c1-3-10-26-17-18(16-24-26)23-20-15-19(29-14-13-28-11-4-2)8-9-21(20)27(25-23)22-7-5-6-12-30-22/h3-4,8-9,15-17,22H,1-2,5-7,10-14H2
InChIKeyWADCNRKDAIKYQZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.37
Rot. Bonds10

About 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole

1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole (PubChem CID 165127830) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole
PubChem CID165127830
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole
SMILESC=CCOCCOc1ccc2c(c1)c(-c1cnn(CC=C)c1)nn2C1CCCCO1
InChIInChI=1S/C23H28N4O3/c1-3-10-26-17-18(16-24-26)23-20-15-19(29-14-13-28-11-4-2)8-9-21(20)27(25-23)22-7-5-6-12-30-22/h3-4,8-9,15-17,22H,1-2,5-7,10-14H2
InChIKeyWADCNRKDAIKYQZ-UHFFFAOYSA-N
XLogP4.37
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-2-[1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indazol-5-yl]oxyacetic acid
CID 165127799
3-[3-[1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indazol-5-yl]oxybutoxy]propan-1-ol
CID 174172938
5-[5-[3-(2-hydroxyethoxy)propoxy]-1-(oxan-2-yl)indazol-3-yl]pyridin-3-ol
CID 165127050
3-[4-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]butoxy]propane-1-sulfonic acid
CID 172858141
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane
CID 174203772
(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]butan-2-ol
CID 165126955
5-(2-methoxyethoxy)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90461100
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-yl]oxysilane
CID 165127295
4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]-2-methylpropoxy]butan-2-ol
CID 174204806
1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-ol
CID 165127144
2-[(2R)-1-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]ethoxy]propan-2-yl]oxyethyl methanesulfonate
CID 165127143
2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol
CID 174203689

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole?
The IUPAC name of 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole (CID 165127830) is 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole.
What is the SMILES notation for 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole?
The canonical SMILES for 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole is C=CCOCCOc1ccc2c(c1)c(-c1cnn(CC=C)c1)nn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole?
The InChIKey is WADCNRKDAIKYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-10-26-17-18(16-24-26)23-20-15-19(29-14-13-28-11-4-2)8-9-21(20)27(25-23)22-7-5-6-12-30-22/h3-4,8-9,15-17,22H,1-2,5-7,10-14H2.
What are the key properties of 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole?
1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole has a molecular weight of 408.50 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole is sourced from PubChem (CID 165127830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).