2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole

C32H24N14S — CID 141086714

IUPAC2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole
SMILESc1cnc(C2(c3cc4ccccc4[nH]3)N(c3cnccn3)N(c3cccnn3)N(c3ccc[nH]3)C2(c2ncc[nH]2)c2nccs2)nc1
InChIInChI=1S/C32H24N14S/c1-2-7-23-22(6-1)20-24(42-23)31(28-36-11-5-12-37-28)32(29-38-16-17-39-29,30-40-18-19-47-30)44(25-8-3-10-34-25)46(26-9-4-13-41-43-26)45(31)27-21-33-14-15-35-27/h1-21,34,42H,(H,38,39)
InChIKeyILRVEHNQWWRVKQ-UHFFFAOYSA-N
MW636.71 g/mol
LogP4.60
Rot. Bonds7

About 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole

2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole (PubChem CID 141086714) has the molecular formula C32H24N14S and a molecular weight of 636.71 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole
PubChem CID141086714
Molecular FormulaC32H24N14S
Molecular Weight636.71 g/mol
Exact Mass636.20
IUPAC Name2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole
SMILESc1cnc(C2(c3cc4ccccc4[nH]3)N(c3cnccn3)N(c3cccnn3)N(c3ccc[nH]3)C2(c2ncc[nH]2)c2nccs2)nc1
InChIInChI=1S/C32H24N14S/c1-2-7-23-22(6-1)20-24(42-23)31(28-36-11-5-12-37-28)32(29-38-16-17-39-29,30-40-18-19-47-30)44(25-8-3-10-34-25)46(26-9-4-13-41-43-26)45(31)27-21-33-14-15-35-27/h1-21,34,42H,(H,38,39)
InChIKeyILRVEHNQWWRVKQ-UHFFFAOYSA-N
XLogP4.60
TPSA160.21 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.71
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole (CID 141086714) is 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole is c1cnc(C2(c3cc4ccccc4[nH]3)N(c3cnccn3)N(c3cccnn3)N(c3ccc[nH]3)C2(c2ncc[nH]2)c2nccs2)nc1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole?
The InChIKey is ILRVEHNQWWRVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N14S/c1-2-7-23-22(6-1)20-24(42-23)31(28-36-11-5-12-37-28)32(29-38-16-17-39-29,30-40-18-19-47-30)44(25-8-3-10-34-25)46(26-9-4-13-41-43-26)45(31)27-21-33-14-15-35-27/h1-21,34,42H,(H,38,39).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole?
2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole has a molecular weight of 636.71 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-1-pyrazin-2-yl-2-pyridazin-3-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)triazolidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 141086714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).