4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole

C35H32F4N4 — CID 166076404

IUPAC4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole
SMILESCc1c(F)cc(-c2cccc3nn(C(C)C(C)Cc4c(F)cc(-c5cccc6nn(C(C)C)cc56)cc4F)cc23)cc1F
InChIInChI=1S/C35H32F4N4/c1-19(2)42-17-28-26(9-6-10-34(28)40-42)24-15-32(38)27(33(39)16-24)12-20(3)22(5)43-18-29-25(8-7-11-35(29)41-43)23-13-30(36)21(4)31(37)14-23/h6-11,13-20,22H,12H2,1-5H3
InChIKeyRLWHUBCUIYZTAZ-UHFFFAOYSA-N
MW584.66 g/mol
LogP9.61
Rot. Bonds7

About 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole

4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole (PubChem CID 166076404) has the molecular formula C35H32F4N4 and a molecular weight of 584.66 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole
PubChem CID166076404
Molecular FormulaC35H32F4N4
Molecular Weight584.66 g/mol
Exact Mass584.26
IUPAC Name4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole
SMILESCc1c(F)cc(-c2cccc3nn(C(C)C(C)Cc4c(F)cc(-c5cccc6nn(C(C)C)cc56)cc4F)cc23)cc1F
InChIInChI=1S/C35H32F4N4/c1-19(2)42-17-28-26(9-6-10-34(28)40-42)24-15-32(38)27(33(39)16-24)12-20(3)22(5)43-18-29-25(8-7-11-35(29)41-43)23-13-30(36)21(4)31(37)14-23/h6-11,13-20,22H,12H2,1-5H3
InChIKeyRLWHUBCUIYZTAZ-UHFFFAOYSA-N
XLogP9.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.66
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 127031978
US11787780, Example 20
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1-(2,5-dimethylbenzyl)-1H-indazole
CID 6625623
6-(2-Fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole
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4-[[(3R,4R)-1-(1,3-difluoropropan-2-yl)-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole
CID 169209624
1-(4-fluorophenyl)-7-methyl-3-phenyl-1H-pyrazolo[4,3-c]quinoline
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3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole?
The IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole (CID 166076404) is 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole.
What is the SMILES notation for 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole?
The canonical SMILES for 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole is Cc1c(F)cc(-c2cccc3nn(C(C)C(C)Cc4c(F)cc(-c5cccc6nn(C(C)C)cc56)cc4F)cc23)cc1F.
What is the InChIKey of 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole?
The InChIKey is RLWHUBCUIYZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F4N4/c1-19(2)42-17-28-26(9-6-10-34(28)40-42)24-15-32(38)27(33(39)16-24)12-20(3)22(5)43-18-29-25(8-7-11-35(29)41-43)23-13-30(36)21(4)31(37)14-23/h6-11,13-20,22H,12H2,1-5H3.
What are the key properties of 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole?
4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole has a molecular weight of 584.66 g/mol, XLogP of 9.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole is sourced from PubChem (CID 166076404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).