4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine

C37H25N7OS — CID 140995183

IUPAC4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine
SMILESc1ccc2c(c1)CCN2N(c1cc2ccccc2[nH]1)c1n[nH]c2ccc(-c3nc4ccccc4o3)c(-c3nc4ccccc4s3)c12
InChIInChI=1S/C37H25N7OS/c1-3-11-25-23(10-1)21-32(38-25)44(43-20-19-22-9-2-6-14-29(22)43)35-34-28(41-42-35)18-17-24(36-39-26-12-4-7-15-30(26)45-36)33(34)37-40-27-13-5-8-16-31(27)46-37/h1-18,21,38H,19-20H2,(H,41,42)
InChIKeyOSHKHFZWSCYICC-UHFFFAOYSA-N
MW615.72 g/mol
LogP9.24
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine

4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine (PubChem CID 140995183) has the molecular formula C37H25N7OS and a molecular weight of 615.72 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine
PubChem CID140995183
Molecular FormulaC37H25N7OS
Molecular Weight615.72 g/mol
Exact Mass615.18
IUPAC Name4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine
SMILESc1ccc2c(c1)CCN2N(c1cc2ccccc2[nH]1)c1n[nH]c2ccc(-c3nc4ccccc4o3)c(-c3nc4ccccc4s3)c12
InChIInChI=1S/C37H25N7OS/c1-3-11-25-23(10-1)21-32(38-25)44(43-20-19-22-9-2-6-14-29(22)43)35-34-28(41-42-35)18-17-24(36-39-26-12-4-7-15-30(26)45-36)33(34)37-40-27-13-5-8-16-31(27)46-37/h1-18,21,38H,19-20H2,(H,41,42)
InChIKeyOSHKHFZWSCYICC-UHFFFAOYSA-N
XLogP9.24
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.72
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine with MolForge

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
2-[4-(1,3-benzothiazol-2-yl)-2-(2,3-dihydroindol-1-yl)-1-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1H-inden-5-yl]-1,3-benzoxazole
CID 140995166
2-[6-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-2-(1-benzothiophen-2-yl)-1-(1H-indazol-3-yl)-7H-purin-2-yl]-1,3-benzoxazole
CID 141050969
2-[7-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-yl)-6-(1H-indazol-3-yl)-1H-benzotriazol-4-yl]-1,3-benzoxazole
CID 141091614
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1H-indazol-3-yl)phenyl]-1,3-benzoxazole
CID 141091622
2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole
CID 141140039
2-[5-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-4-yl)-6-thiophen-2-yl-1H-indol-4-yl]-1,3-benzoxazole
CID 141195789
2-[7-(1,3-benzothiazol-2-yl)-6-(1H-indol-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-3H-benzimidazol-5-yl]-1,3-benzoxazole
CID 141200796
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1H-indazol-3-yl)-6-(2H-isoindol-1-yl)phenyl]-1,3-benzoxazole
CID 141209815
2-[6-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-yl)-2H-benzotriazol-4-yl]-1,3-benzoxazole
CID 141271444
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
2-[2-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-2-yl)-5-(1,2-benzoxazol-3-yl)-3-(1H-indazol-3-yl)phenyl]-1,3-benzoxazole
CID 141362247

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine (CID 140995183) is 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine is c1ccc2c(c1)CCN2N(c1cc2ccccc2[nH]1)c1n[nH]c2ccc(-c3nc4ccccc4o3)c(-c3nc4ccccc4s3)c12.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine?
The InChIKey is OSHKHFZWSCYICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N7OS/c1-3-11-25-23(10-1)21-32(38-25)44(43-20-19-22-9-2-6-14-29(22)43)35-34-28(41-42-35)18-17-24(36-39-26-12-4-7-15-30(26)45-36)33(34)37-40-27-13-5-8-16-31(27)46-37/h1-18,21,38H,19-20H2,(H,41,42).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine?
4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine has a molecular weight of 615.72 g/mol, XLogP of 9.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine is sourced from PubChem (CID 140995183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).