4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole

C53H29N21O5S3 — CID 123454194

IUPAC4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
SMILESc1ccc(-c2ncsc2Sc2occc2-c2[nH]ccc2-c2nc(-c3nocc3-c3nnoc3-c3n[nH]cc3-c3nc(-c4nnsc4-c4nnccc4-c4nccnc4-c4ncccc4-c4nccc(Oc5cc[nH]n5)n4)c[nH]3)co2)cc1
InChIInChI=1S/C53H29N21O5S3/c1-2-5-26(6-3-1)37-53(80-25-60-37)81-52-30(12-20-75-52)38-29(8-14-55-38)51-65-34(24-76-51)39-32(23-77-72-39)43-47(79-73-70-43)42-31(21-63-68-42)50-59-22-33(64-50)45-48(82-74-71-45)44-27(9-16-62-69-44)40-46(57-19-18-56-40)41-28(7-4-13-54-41)49-58-15-10-35(66-49)78-36-11-17-61-67-36/h1-25,55H,(H,59,64)(H,61,67)(H,63,68)
InChIKeyBRYJOFOEKLEPPX-UHFFFAOYSA-N
MW1136.16 g/mol
LogP11.16
Rot. Bonds16

About 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole

4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole (PubChem CID 123454194) has the molecular formula C53H29N21O5S3 and a molecular weight of 1136.16 g/mol. Its IUPAC name is 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole.

Molecular Properties

Compound Name4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
PubChem CID123454194
Molecular FormulaC53H29N21O5S3
Molecular Weight1136.16 g/mol
Exact Mass1135.18
IUPAC Name4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
SMILESc1ccc(-c2ncsc2Sc2occc2-c2[nH]ccc2-c2nc(-c3nocc3-c3nnoc3-c3n[nH]cc3-c3nc(-c4nnsc4-c4nnccc4-c4nccnc4-c4ncccc4-c4nccc(Oc5cc[nH]n5)n4)c[nH]3)co2)cc1
InChIInChI=1S/C53H29N21O5S3/c1-2-5-26(6-3-1)37-53(80-25-60-37)81-52-30(12-20-75-52)38-29(8-14-55-38)51-65-34(24-76-51)39-32(23-77-72-39)43-47(79-73-70-43)42-31(21-63-68-42)50-59-22-33(64-50)45-48(82-74-71-45)44-27(9-16-62-69-44)40-46(57-19-18-56-40)41-28(7-4-13-54-41)49-58-15-10-35(66-49)78-36-11-17-61-67-36/h1-25,55H,(H,59,64)(H,61,67)(H,63,68)
InChIKeyBRYJOFOEKLEPPX-UHFFFAOYSA-N
XLogP11.16
TPSA344.08 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001136.16
LogP ≤ 511.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole?
The IUPAC name of 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole (CID 123454194) is 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole.
What is the SMILES notation for 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole?
The canonical SMILES for 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole is c1ccc(-c2ncsc2Sc2occc2-c2[nH]ccc2-c2nc(-c3nocc3-c3nnoc3-c3n[nH]cc3-c3nc(-c4nnsc4-c4nnccc4-c4nccnc4-c4ncccc4-c4nccc(Oc5cc[nH]n5)n4)c[nH]3)co2)cc1.
What is the InChIKey of 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole?
The InChIKey is BRYJOFOEKLEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29N21O5S3/c1-2-5-26(6-3-1)37-53(80-25-60-37)81-52-30(12-20-75-52)38-29(8-14-55-38)51-65-34(24-76-51)39-32(23-77-72-39)43-47(79-73-70-43)42-31(21-63-68-42)50-59-22-33(64-50)45-48(82-74-71-45)44-27(9-16-62-69-44)40-46(57-19-18-56-40)41-28(7-4-13-54-41)49-58-15-10-35(66-49)78-36-11-17-61-67-36/h1-25,55H,(H,59,64)(H,61,67)(H,63,68).
What are the key properties of 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole?
4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole has a molecular weight of 1136.16 g/mol, XLogP of 11.16, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole is sourced from PubChem (CID 123454194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).