4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole

C27H19N15OS — CID 141214137

IUPAC4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole
SMILESc1ccc(C2=C(c3csnn3)N(c3conn3)C(c3cccnn3)(c3cn[nH]n3)C(c3ncccn3)(c3ccc[nH]3)N2)nc1
InChIInChI=1S/C27H19N15OS/c1-2-9-28-17(6-1)23-24(18-16-44-41-35-18)42(22-15-43-40-38-22)27(21-14-33-39-37-21,20-8-4-13-32-36-20)26(34-23,19-7-3-10-29-19)25-30-11-5-12-31-25/h1-16,29,34H,(H,33,37,39)
InChIKeyHRPNRMYETRJRSI-UHFFFAOYSA-N
MW601.62 g/mol
LogP2.17
Rot. Bonds7

About 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole

4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole (PubChem CID 141214137) has the molecular formula C27H19N15OS and a molecular weight of 601.62 g/mol. Its IUPAC name is 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole
PubChem CID141214137
Molecular FormulaC27H19N15OS
Molecular Weight601.62 g/mol
Exact Mass601.16
IUPAC Name4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole
SMILESc1ccc(C2=C(c3csnn3)N(c3conn3)C(c3cccnn3)(c3cn[nH]n3)C(c3ncccn3)(c3ccc[nH]3)N2)nc1
InChIInChI=1S/C27H19N15OS/c1-2-9-28-17(6-1)23-24(18-16-44-41-35-18)42(22-15-43-40-38-22)27(21-14-33-39-37-21,20-8-4-13-32-36-20)26(34-23,19-7-3-10-29-19)25-30-11-5-12-31-25/h1-16,29,34H,(H,33,37,39)
InChIKeyHRPNRMYETRJRSI-UHFFFAOYSA-N
XLogP2.17
TPSA201.78 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.62
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

4-[5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-6-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-4H-triazin-1-yl]oxadiazole
CID 140970517
4-[3-pyrazin-2-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4H-pyridazin-6-yl]thiadiazole
CID 141147609
4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole
CID 162004495
1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
CID 162095956

Frequently Asked Questions

What is the IUPAC name of 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole?
The IUPAC name of 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole (CID 141214137) is 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole.
What is the SMILES notation for 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole?
The canonical SMILES for 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole is c1ccc(C2=C(c3csnn3)N(c3conn3)C(c3cccnn3)(c3cn[nH]n3)C(c3ncccn3)(c3ccc[nH]3)N2)nc1.
What is the InChIKey of 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole?
The InChIKey is HRPNRMYETRJRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N15OS/c1-2-9-28-17(6-1)23-24(18-16-44-41-35-18)42(22-15-43-40-38-22)27(21-14-33-39-37-21,20-8-4-13-32-36-20)26(34-23,19-7-3-10-29-19)25-30-11-5-12-31-25/h1-16,29,34H,(H,33,37,39).
What are the key properties of 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole?
4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole has a molecular weight of 601.62 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole is sourced from PubChem (CID 141214137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).