2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole

C20H14N4S — CID 137040736

IUPAC2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole
SMILESc1ccc(-c2cc(-c3cc4c(-c5ccsc5)cccc4[nH]3)n[nH]2)nc1
InChIInChI=1S/C20H14N4S/c1-2-8-21-17(5-1)19-11-20(24-23-19)18-10-15-14(13-7-9-25-12-13)4-3-6-16(15)22-18/h1-12,22H,(H,23,24)
InChIKeyLHFTVTJEKJYQSI-UHFFFAOYSA-N
MW342.43 g/mol
LogP5.35
Rot. Bonds3

About 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole

2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole (PubChem CID 137040736) has the molecular formula C20H14N4S and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole
PubChem CID137040736
Molecular FormulaC20H14N4S
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC Name2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole
SMILESc1ccc(-c2cc(-c3cc4c(-c5ccsc5)cccc4[nH]3)n[nH]2)nc1
InChIInChI=1S/C20H14N4S/c1-2-8-21-17(5-1)19-11-20(24-23-19)18-10-15-14(13-7-9-25-12-13)4-3-6-16(15)22-18/h1-12,22H,(H,23,24)
InChIKeyLHFTVTJEKJYQSI-UHFFFAOYSA-N
XLogP5.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyridin-2-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137114124
5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137103267
5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole
CID 137116462
5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137115075
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115245
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115131
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254867
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115143
N-[[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137113451
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114677
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113851

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole?
The IUPAC name of 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole (CID 137040736) is 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole.
What is the SMILES notation for 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole?
The canonical SMILES for 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole is c1ccc(-c2cc(-c3cc4c(-c5ccsc5)cccc4[nH]3)n[nH]2)nc1.
What is the InChIKey of 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole?
The InChIKey is LHFTVTJEKJYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S/c1-2-8-21-17(5-1)19-11-20(24-23-19)18-10-15-14(13-7-9-25-12-13)4-3-6-16(15)22-18/h1-12,22H,(H,23,24).
What are the key properties of 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole?
2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole has a molecular weight of 342.43 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole is sourced from PubChem (CID 137040736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).