3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole

C27H17N7O2 — CID 141231348

IUPAC3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole
SMILESc1cnnc(-c2c(-c3cnccn3)[nH]c3cc(-c4ccc[nH]4)c(-c4ccon4)c(-c4ccco4)c23)c1
InChIInChI=1S/C27H17N7O2/c1-4-17(29-8-1)16-14-20-24(26(22-6-3-12-35-22)23(16)19-7-13-36-34-19)25(18-5-2-9-31-33-18)27(32-20)21-15-28-10-11-30-21/h1-15,29,32H
InChIKeyRDJTUJCIHZUKHM-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.99
Rot. Bonds5

About 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole

3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole (PubChem CID 141231348) has the molecular formula C27H17N7O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole
PubChem CID141231348
Molecular FormulaC27H17N7O2
Molecular Weight471.48 g/mol
Exact Mass471.14
IUPAC Name3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole
SMILESc1cnnc(-c2c(-c3cnccn3)[nH]c3cc(-c4ccc[nH]4)c(-c4ccon4)c(-c4ccco4)c23)c1
InChIInChI=1S/C27H17N7O2/c1-4-17(29-8-1)16-14-20-24(26(22-6-3-12-35-22)23(16)19-7-13-36-34-19)25(18-5-2-9-31-33-18)27(32-20)21-15-28-10-11-30-21/h1-15,29,32H
InChIKeyRDJTUJCIHZUKHM-UHFFFAOYSA-N
XLogP5.99
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole (CID 141231348) is 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole is c1cnnc(-c2c(-c3cnccn3)[nH]c3cc(-c4ccc[nH]4)c(-c4ccon4)c(-c4ccco4)c23)c1.
What is the InChIKey of 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole?
The InChIKey is RDJTUJCIHZUKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N7O2/c1-4-17(29-8-1)16-14-20-24(26(22-6-3-12-35-22)23(16)19-7-13-36-34-19)25(18-5-2-9-31-33-18)27(32-20)21-15-28-10-11-30-21/h1-15,29,32H.
What are the key properties of 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole?
3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole has a molecular weight of 471.48 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-yl)-2-pyrazin-2-yl-3-pyridazin-3-yl-6-(1H-pyrrol-2-yl)-1H-indol-5-yl]-1,2-oxazole is sourced from PubChem (CID 141231348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).