2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole

C34H21N9OS2 — CID 141165871

IUPAC2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3cccs3)c(-c3nccs3)c3c(-c4ccco4)c(-c4ccnnn4)n(-c4ccc[nH]4)c3c2-c2cc[nH]n2)nc1
InChIInChI=1S/C34H21N9OS2/c1-2-12-35-20(6-1)26-27(21-10-14-38-40-21)33-30(31(34-37-16-19-46-34)29(26)24-8-5-18-45-24)28(23-7-4-17-44-23)32(22-11-15-39-42-41-22)43(33)25-9-3-13-36-25/h1-19,36H,(H,38,40)
InChIKeyVTMLSXXJWITWRJ-UHFFFAOYSA-N
MW635.74 g/mol
LogP8.37
Rot. Bonds7

About 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole

2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole (PubChem CID 141165871) has the molecular formula C34H21N9OS2 and a molecular weight of 635.74 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole
PubChem CID141165871
Molecular FormulaC34H21N9OS2
Molecular Weight635.74 g/mol
Exact Mass635.13
IUPAC Name2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3cccs3)c(-c3nccs3)c3c(-c4ccco4)c(-c4ccnnn4)n(-c4ccc[nH]4)c3c2-c2cc[nH]n2)nc1
InChIInChI=1S/C34H21N9OS2/c1-2-12-35-20(6-1)26-27(21-10-14-38-40-21)33-30(31(34-37-16-19-46-34)29(26)24-8-5-18-45-24)28(23-7-4-17-44-23)32(22-11-15-39-42-41-22)43(33)25-9-3-13-36-25/h1-19,36H,(H,38,40)
InChIKeyVTMLSXXJWITWRJ-UHFFFAOYSA-N
XLogP8.37
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.74
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
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N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine
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5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
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2-[3-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-5-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)phenyl]-1,3-benzothiazole
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CID 141039510
1-[2-(1H-benzimidazol-2-yl)-4-(1-benzothiophen-2-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)phenyl]indazole
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2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
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2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
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3-[2-cinnolin-3-yl-6-(1H-indazol-3-yl)-4-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-5,7-bis(1,3-thiazol-2-yl)-2H-quinazolin-8-yl]-1,2-oxazole
CID 141064198
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
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2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole (CID 141165871) is 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole is c1ccc(-c2c(-c3cccs3)c(-c3nccs3)c3c(-c4ccco4)c(-c4ccnnn4)n(-c4ccc[nH]4)c3c2-c2cc[nH]n2)nc1.
What is the InChIKey of 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole?
The InChIKey is VTMLSXXJWITWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N9OS2/c1-2-12-35-20(6-1)26-27(21-10-14-38-40-21)33-30(31(34-37-16-19-46-34)29(26)24-8-5-18-45-24)28(23-7-4-17-44-23)32(22-11-15-39-42-41-22)43(33)25-9-3-13-36-25/h1-19,36H,(H,38,40).
What are the key properties of 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole?
2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole has a molecular weight of 635.74 g/mol, XLogP of 8.37, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole is sourced from PubChem (CID 141165871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).