5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole

C22H15N5S — CID 137116462

IUPAC5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole
SMILESc1cc(-c2ccsc2)c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C22H15N5S/c1-2-16(14-6-7-28-12-14)17-9-21(25-19(17)3-1)22-18-8-13(15-10-23-24-11-15)4-5-20(18)26-27-22/h1-12,25H,(H,23,24)(H,26,27)
InChIKeyUQBGHKQSOTWWGB-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.83
Rot. Bonds3

About 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole

5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole (PubChem CID 137116462) has the molecular formula C22H15N5S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole
PubChem CID137116462
Molecular FormulaC22H15N5S
Molecular Weight381.46 g/mol
Exact Mass381.10
IUPAC Name5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole
SMILESc1cc(-c2ccsc2)c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C22H15N5S/c1-2-16(14-6-7-28-12-14)17-9-21(25-19(17)3-1)22-18-8-13(15-10-23-24-11-15)4-5-20(18)26-27-22/h1-12,25H,(H,23,24)(H,26,27)
InChIKeyUQBGHKQSOTWWGB-UHFFFAOYSA-N
XLogP5.83
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazole
CID 137115638
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116471
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
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115245
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137115257
5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114714
5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137115075
3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137116079
2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116367
2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-4-thiophen-3-yl-1H-indole
CID 137040736
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115143

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole?
The IUPAC name of 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole (CID 137116462) is 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole is c1cc(-c2ccsc2)c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)[nH]c2c1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole?
The InChIKey is UQBGHKQSOTWWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5S/c1-2-16(14-6-7-28-12-14)17-9-21(25-19(17)3-1)22-18-8-13(15-10-23-24-11-15)4-5-20(18)26-27-22/h1-12,25H,(H,23,24)(H,26,27).
What are the key properties of 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole?
5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole has a molecular weight of 381.46 g/mol, XLogP of 5.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole is sourced from PubChem (CID 137116462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).