5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole

C24H20ClF2N3O2 — CID 171077023

IUPAC5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole
SMILESC=Cc1c(Oc2ccc(F)c(-c3nn(C4CCCCO4)cc3Cl)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C24H20ClF2N3O2/c1-2-15-16-8-9-28-21(16)12-20(27)24(15)32-14-6-7-19(26)17(11-14)23-18(25)13-30(29-23)22-5-3-4-10-31-22/h2,6-9,11-13,22,28H,1,3-5,10H2
InChIKeyZGKHDFKPZUUAOA-UHFFFAOYSA-N
MW455.89 g/mol
LogP7.10
Rot. Bonds5

About 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole

5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole (PubChem CID 171077023) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole.

Molecular Properties

Compound Name5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole
PubChem CID171077023
Molecular FormulaC24H20ClF2N3O2
Molecular Weight455.89 g/mol
Exact Mass455.12
IUPAC Name5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole
SMILESC=Cc1c(Oc2ccc(F)c(-c3nn(C4CCCCO4)cc3Cl)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C24H20ClF2N3O2/c1-2-15-16-8-9-28-21(16)12-20(27)24(15)32-14-6-7-19(26)17(11-14)23-18(25)13-30(29-23)22-5-3-4-10-31-22/h2,6-9,11-13,22,28H,1,3-5,10H2
InChIKeyZGKHDFKPZUUAOA-UHFFFAOYSA-N
XLogP7.10
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole with MolForge

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Related Compounds

Ly-2874455
CID 46944259
(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-YL)ethoxy)-1H-indazol-3-YL)vinyl)-1H-pyrazol-1-YL)ethanol
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2-[4-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 66646767
US9675697, Cpd. No. 33
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5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
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1-chloro-8-methoxy-7-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole
CID 90388075
4-(4-{3-[(dimethylamino) methyl]-5-fluorophenoxy} piperidin-1-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]butanenitrile
CID 126578278
US9682968, Example-17-24
CID 121362585
N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 170699477
US9682968, Example-17-23
CID 117829058
N-[3-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 177371336

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole?
The IUPAC name of 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole (CID 171077023) is 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole.
What is the SMILES notation for 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole?
The canonical SMILES for 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole is C=Cc1c(Oc2ccc(F)c(-c3nn(C4CCCCO4)cc3Cl)c2)c(F)cc2[nH]ccc12.
What is the InChIKey of 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole?
The InChIKey is ZGKHDFKPZUUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c1-2-15-16-8-9-28-21(16)12-20(27)24(15)32-14-6-7-19(26)17(11-14)23-18(25)13-30(29-23)22-5-3-4-10-31-22/h2,6-9,11-13,22,28H,1,3-5,10H2.
What are the key properties of 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole?
5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole has a molecular weight of 455.89 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-chloro-1-(oxan-2-yl)pyrazol-3-yl]-4-fluorophenoxy]-4-ethenyl-6-fluoro-1H-indole is sourced from PubChem (CID 171077023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).