3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole

C36H28N8S4 — CID 158608842

IUPAC3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole
SMILESC1=CC(c2ccsc2)(c2ccsc2)Cc2[nH]nc(-c3cnc[nH]3)c21.C1=CC(c2ccsc2)(c2ccsc2)Cc2[nH]nc(-c3ncc[nH]3)c21
InChIInChI=1S/2C18H14N4S2/c1-4-18(12-2-7-23-10-12,13-3-8-24-11-13)9-15-14(1)16(22-21-15)17-19-5-6-20-17;1-4-18(12-2-5-23-9-12,13-3-6-24-10-13)7-15-14(1)17(22-21-15)16-8-19-11-20-16/h1-8,10-11H,9H2,(H,19,20)(H,21,22);1-6,8-11H,7H2,(H,19,20)(H,21,22)
InChIKeyHWOOZVPLNRFSJA-UHFFFAOYSA-N
MW700.94 g/mol
LogP8.96
Rot. Bonds6

About 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole

3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole (PubChem CID 158608842) has the molecular formula C36H28N8S4 and a molecular weight of 700.94 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole
PubChem CID158608842
Molecular FormulaC36H28N8S4
Molecular Weight700.94 g/mol
Exact Mass700.13
IUPAC Name3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole
SMILESC1=CC(c2ccsc2)(c2ccsc2)Cc2[nH]nc(-c3cnc[nH]3)c21.C1=CC(c2ccsc2)(c2ccsc2)Cc2[nH]nc(-c3ncc[nH]3)c21
InChIInChI=1S/2C18H14N4S2/c1-4-18(12-2-7-23-10-12,13-3-8-24-11-13)9-15-14(1)16(22-21-15)17-19-5-6-20-17;1-4-18(12-2-5-23-9-12,13-3-6-24-10-13)7-15-14(1)17(22-21-15)16-8-19-11-20-16/h1-8,10-11H,9H2,(H,19,20)(H,21,22);1-6,8-11H,7H2,(H,19,20)(H,21,22)
InChIKeyHWOOZVPLNRFSJA-UHFFFAOYSA-N
XLogP8.96
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.94
LogP ≤ 58.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole with MolForge

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Related Compounds

N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
3-[4-(4-Thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]propanenitrile
CID 164620163
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136213907
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136643031
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136643073
2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019247
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137055261
5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110483

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole?
The IUPAC name of 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole (CID 158608842) is 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole?
The canonical SMILES for 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole is C1=CC(c2ccsc2)(c2ccsc2)Cc2[nH]nc(-c3cnc[nH]3)c21.C1=CC(c2ccsc2)(c2ccsc2)Cc2[nH]nc(-c3ncc[nH]3)c21.
What is the InChIKey of 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole?
The InChIKey is HWOOZVPLNRFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N4S2/c1-4-18(12-2-7-23-10-12,13-3-8-24-11-13)9-15-14(1)16(22-21-15)17-19-5-6-20-17;1-4-18(12-2-5-23-9-12,13-3-6-24-10-13)7-15-14(1)17(22-21-15)16-8-19-11-20-16/h1-8,10-11H,9H2,(H,19,20)(H,21,22);1-6,8-11H,7H2,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole?
3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole has a molecular weight of 700.94 g/mol, XLogP of 8.96, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-di(thiophen-3-yl)-1,7-dihydroindazole is sourced from PubChem (CID 158608842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).