1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol

C24H30N4O4 — CID 66831605

IUPAC1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
SMILESOc1ccc2c(c1)c(C=Cc1cnn(CCOC3CCCCO3)c1)nn2C1CCCCO1
InChIInChI=1S/C24H30N4O4/c29-19-8-10-22-20(15-19)21(26-28(22)23-5-1-3-12-30-23)9-7-18-16-25-27(17-18)11-14-32-24-6-2-4-13-31-24/h7-10,15-17,23-24,29H,1-6,11-14H2
InChIKeyOTSOEGQVEWDEHX-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.35
Rot. Bonds7

About 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol

1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol (PubChem CID 66831605) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
PubChem CID66831605
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
SMILESOc1ccc2c(c1)c(C=Cc1cnn(CCOC3CCCCO3)c1)nn2C1CCCCO1
InChIInChI=1S/C24H30N4O4/c29-19-8-10-22-20(15-19)21(26-28(22)23-5-1-3-12-30-23)9-7-18-16-25-27(17-18)11-14-32-24-6-2-4-13-31-24/h7-10,15-17,23-24,29H,1-6,11-14H2
InChIKeyOTSOEGQVEWDEHX-UHFFFAOYSA-N
XLogP4.35
TPSA83.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 134593579
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-ol
CID 165127144
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 137365980
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
5-(2-methoxyethoxy)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90461100
3-fluoro-N-methyl-2-[1-(oxan-2-yl)-3-[(E)-2-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]ethenyl]indazol-6-yl]sulfanylbenzamide
CID 176891276
5-bromo-1-(oxan-2-yl)-3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]indazole
CID 156501282
5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
CID 86687174
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]borinic acid
CID 45382218

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol?
The IUPAC name of 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol (CID 66831605) is 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol.
What is the SMILES notation for 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol?
The canonical SMILES for 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol is Oc1ccc2c(c1)c(C=Cc1cnn(CCOC3CCCCO3)c1)nn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol?
The InChIKey is OTSOEGQVEWDEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-19-8-10-22-20(15-19)21(26-28(22)23-5-1-3-12-30-23)9-7-18-16-25-27(17-18)11-14-32-24-6-2-4-13-31-24/h7-10,15-17,23-24,29H,1-6,11-14H2.
What are the key properties of 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol?
1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol has a molecular weight of 438.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol is sourced from PubChem (CID 66831605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).