1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole

C24H22N4O3 — CID 164613941

IUPAC1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc5c(cnn5C)c4)cc23)cc(OC)c1OC
InChIInChI=1S/C24H22N4O3/c1-28-20-8-6-14(9-17(20)13-25-28)15-5-7-19-18(10-15)23(27-26-19)16-11-21(29-2)24(31-4)22(12-16)30-3/h5-13H,1-4H3,(H,26,27)
InChIKeyLFHCZYGYZPAGAJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.81
Rot. Bonds5

About 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole

1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole (PubChem CID 164613941) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole.

Molecular Properties

Compound Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole
PubChem CID164613941
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc5c(cnn5C)c4)cc23)cc(OC)c1OC
InChIInChI=1S/C24H22N4O3/c1-28-20-8-6-14(9-17(20)13-25-28)15-5-7-19-18(10-15)23(27-26-19)16-11-21(29-2)24(31-4)22(12-16)30-3/h5-13H,1-4H3,(H,26,27)
InChIKeyLFHCZYGYZPAGAJ-UHFFFAOYSA-N
XLogP4.81
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole?
The IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole (CID 164613941) is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole.
What is the SMILES notation for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole?
The canonical SMILES for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole is COc1cc(-c2n[nH]c3ccc(-c4ccc5c(cnn5C)c4)cc23)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole?
The InChIKey is LFHCZYGYZPAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-28-20-8-6-14(9-17(20)13-25-28)15-5-7-19-18(10-15)23(27-26-19)16-11-21(29-2)24(31-4)22(12-16)30-3/h5-13H,1-4H3,(H,26,27).
What are the key properties of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole?
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole has a molecular weight of 414.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole is sourced from PubChem (CID 164613941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).