3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole

C25H18N4S — CID 137116079

IUPAC3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESCc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)s1
InChIInChI=1S/C25H18N4S/c1-15-5-8-24(30-15)18-3-2-4-21-19(18)14-23(27-21)25-20-13-17(6-7-22(20)28-29-25)16-9-11-26-12-10-16/h2-14,27H,1H3,(H,28,29)
InChIKeyOIEQAUPZPSVOSC-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.81
Rot. Bonds3

About 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole

3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole (PubChem CID 137116079) has the molecular formula C25H18N4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
PubChem CID137116079
Molecular FormulaC25H18N4S
Molecular Weight406.51 g/mol
Exact Mass406.13
IUPAC Name3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESCc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)s1
InChIInChI=1S/C25H18N4S/c1-15-5-8-24(30-15)18-3-2-4-21-19(18)14-23(27-21)25-20-13-17(6-7-22(20)28-29-25)16-9-11-26-12-10-16/h2-14,27H,1H3,(H,28,29)
InChIKeyOIEQAUPZPSVOSC-UHFFFAOYSA-N
XLogP6.81
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137116530
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 137115524
1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone
CID 137113311
5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole
CID 137116462
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazole
CID 137115638
N-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137088651
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 137112329
1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137310718
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137114012
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116471
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazole
CID 137116411
N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine
CID 137088135

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole (CID 137116079) is 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole is Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
The InChIKey is OIEQAUPZPSVOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4S/c1-15-5-8-24(30-15)18-3-2-4-21-19(18)14-23(27-21)25-20-13-17(6-7-22(20)28-29-25)16-9-11-26-12-10-16/h2-14,27H,1H3,(H,28,29).
What are the key properties of 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole has a molecular weight of 406.51 g/mol, XLogP of 6.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 137116079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).