5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol

C24H21N5O2 — CID 70193206

IUPAC5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol
SMILESCOc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(O)c4)c3n2)c1
InChIInChI=1S/C24H21N5O2/c1-16-13-28(15-25-16)22-10-9-18(11-23(22)30)26-21-8-3-5-17-14-29(27-24(17)21)19-6-4-7-20(12-19)31-2/h3-15,26,30H,1-2H3
InChIKeyPHIZWUOPUQNGEJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.98
Rot. Bonds5

About 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol

5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol (PubChem CID 70193206) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol.

Molecular Properties

Compound Name5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol
PubChem CID70193206
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol
SMILESCOc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(O)c4)c3n2)c1
InChIInChI=1S/C24H21N5O2/c1-16-13-28(15-25-16)22-10-9-18(11-23(22)30)26-21-8-3-5-17-14-29(27-24(17)21)19-6-4-7-20(12-19)31-2/h3-15,26,30H,1-2H3
InChIKeyPHIZWUOPUQNGEJ-UHFFFAOYSA-N
XLogP4.98
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol?
The IUPAC name of 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol (CID 70193206) is 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol.
What is the SMILES notation for 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol?
The canonical SMILES for 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol is COc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(O)c4)c3n2)c1.
What is the InChIKey of 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol?
The InChIKey is PHIZWUOPUQNGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-16-13-28(15-25-16)22-10-9-18(11-23(22)30)26-21-8-3-5-17-14-29(27-24(17)21)19-6-4-7-20(12-19)31-2/h3-15,26,30H,1-2H3.
What are the key properties of 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol?
5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol has a molecular weight of 411.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methoxyphenyl)indazol-7-yl]amino]-2-(4-methylimidazol-1-yl)phenol is sourced from PubChem (CID 70193206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).