3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline

C52H54N10S2 — CID 157248582

IUPAC3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(c3cccc(N(C)C)c3)C=Cc3c(-c4cncs4)n[nH]c3C2)c1.CN(C)c1cccc(C2(c3cccc(N(C)C)c3)C=Cc3c(-c4cscn4)n[nH]c3C2)c1
InChIInChI=1S/2C26H27N5S/c1-30(2)20-9-5-7-18(13-20)26(19-8-6-10-21(14-19)31(3)4)12-11-22-23(15-26)28-29-25(22)24-16-32-17-27-24;1-30(2)20-9-5-7-18(13-20)26(19-8-6-10-21(14-19)31(3)4)12-11-22-23(15-26)28-29-25(22)24-16-27-17-32-24/h2*5-14,16-17H,15H2,1-4H3,(H,28,29)
InChIKeyAWBOTFWWKSKNMZ-UHFFFAOYSA-N
MW883.21 g/mol
LogP10.44
Rot. Bonds10

About 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline

3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline (PubChem CID 157248582) has the molecular formula C52H54N10S2 and a molecular weight of 883.21 g/mol. Its IUPAC name is 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline
PubChem CID157248582
Molecular FormulaC52H54N10S2
Molecular Weight883.21 g/mol
Exact Mass882.40
IUPAC Name3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(c3cccc(N(C)C)c3)C=Cc3c(-c4cncs4)n[nH]c3C2)c1.CN(C)c1cccc(C2(c3cccc(N(C)C)c3)C=Cc3c(-c4cscn4)n[nH]c3C2)c1
InChIInChI=1S/2C26H27N5S/c1-30(2)20-9-5-7-18(13-20)26(19-8-6-10-21(14-19)31(3)4)12-11-22-23(15-26)28-29-25(22)24-16-32-17-27-24;1-30(2)20-9-5-7-18(13-20)26(19-8-6-10-21(14-19)31(3)4)12-11-22-23(15-26)28-29-25(22)24-16-27-17-32-24/h2*5-14,16-17H,15H2,1-4H3,(H,28,29)
InChIKeyAWBOTFWWKSKNMZ-UHFFFAOYSA-N
XLogP10.44
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.21
LogP ≤ 510.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline (CID 157248582) is 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline is CN(C)c1cccc(C2(c3cccc(N(C)C)c3)C=Cc3c(-c4cncs4)n[nH]c3C2)c1.CN(C)c1cccc(C2(c3cccc(N(C)C)c3)C=Cc3c(-c4cscn4)n[nH]c3C2)c1.
What is the InChIKey of 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline?
The InChIKey is AWBOTFWWKSKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27N5S/c1-30(2)20-9-5-7-18(13-20)26(19-8-6-10-21(14-19)31(3)4)12-11-22-23(15-26)28-29-25(22)24-16-32-17-27-24;1-30(2)20-9-5-7-18(13-20)26(19-8-6-10-21(14-19)31(3)4)12-11-22-23(15-26)28-29-25(22)24-16-27-17-32-24/h2*5-14,16-17H,15H2,1-4H3,(H,28,29).
What are the key properties of 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline?
3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline has a molecular weight of 883.21 g/mol, XLogP of 10.44, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-4-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline;3-[6-[3-(dimethylamino)phenyl]-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-N,N-dimethylaniline is sourced from PubChem (CID 157248582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).