1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole

C24H17F4N3O — CID 143372104

IUPAC1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
SMILESCOc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(F)cc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H17F4N3O/c1-32-18-6-4-17(5-7-18)31-22-9-2-14(10-15(22)12-30-31)23(24(26,27)28)20-13-29-21-8-3-16(25)11-19(20)21/h2-13,23,29H,1H3
InChIKeyINXNNAODBDFZCO-UHFFFAOYSA-N
MW439.41 g/mol
LogP6.35
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole

1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole (PubChem CID 143372104) has the molecular formula C24H17F4N3O and a molecular weight of 439.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
PubChem CID143372104
Molecular FormulaC24H17F4N3O
Molecular Weight439.41 g/mol
Exact Mass439.13
IUPAC Name1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
SMILESCOc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(F)cc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H17F4N3O/c1-32-18-6-4-17(5-7-18)31-22-9-2-14(10-15(22)12-30-31)23(24(26,27)28)20-13-29-21-8-3-16(25)11-19(20)21/h2-13,23,29H,1H3
InChIKeyINXNNAODBDFZCO-UHFFFAOYSA-N
XLogP6.35
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.41
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

A-443654
CID 10172943
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279
5-{5-[(2S)-2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732414
5-{5-[(2S)-2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732416
5-{5-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732881
5-{5-[(2S)-2-amino-3-(2,6-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732883
5-{5-[(2S)-2-amino-3-(2,3,4-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733156

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole (CID 143372104) is 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole is COc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(F)cc45)C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
The InChIKey is INXNNAODBDFZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O/c1-32-18-6-4-17(5-7-18)31-22-9-2-14(10-15(22)12-30-31)23(24(26,27)28)20-13-29-21-8-3-16(25)11-19(20)21/h2-13,23,29H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole has a molecular weight of 439.41 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole is sourced from PubChem (CID 143372104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).