2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine

C31H20N6O3S — CID 141024588

IUPAC2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine
SMILESc1ccc(C2=C(c3ncccn3)C(c3ccon3)C(c3ccco3)(c3cc4ncccc4o3)N2c2cccs2)nc1
InChIInChI=1S/C31H20N6O3S/c1-2-12-32-21(7-1)29-27(30-34-14-6-15-35-30)28(20-11-17-39-36-20)31(24-9-4-16-38-24,37(29)26-10-5-18-41-26)25-19-22-23(40-25)8-3-13-33-22/h1-19,28H
InChIKeyITWBASARCPGROI-UHFFFAOYSA-N
MW556.61 g/mol
LogP6.77
Rot. Bonds6

About 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine

2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine (PubChem CID 141024588) has the molecular formula C31H20N6O3S and a molecular weight of 556.61 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine
PubChem CID141024588
Molecular FormulaC31H20N6O3S
Molecular Weight556.61 g/mol
Exact Mass556.13
IUPAC Name2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine
SMILESc1ccc(C2=C(c3ncccn3)C(c3ccon3)C(c3ccco3)(c3cc4ncccc4o3)N2c2cccs2)nc1
InChIInChI=1S/C31H20N6O3S/c1-2-12-32-21(7-1)29-27(30-34-14-6-15-35-30)28(20-11-17-39-36-20)31(24-9-4-16-38-24,37(29)26-10-5-18-41-26)25-19-22-23(40-25)8-3-13-33-22/h1-19,28H
InChIKeyITWBASARCPGROI-UHFFFAOYSA-N
XLogP6.77
TPSA107.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.61
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine?
The IUPAC name of 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine (CID 141024588) is 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine is c1ccc(C2=C(c3ncccn3)C(c3ccon3)C(c3ccco3)(c3cc4ncccc4o3)N2c2cccs2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine?
The InChIKey is ITWBASARCPGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N6O3S/c1-2-12-32-21(7-1)29-27(30-34-14-6-15-35-30)28(20-11-17-39-36-20)31(24-9-4-16-38-24,37(29)26-10-5-18-41-26)25-19-22-23(40-25)8-3-13-33-22/h1-19,28H.
What are the key properties of 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine?
2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine has a molecular weight of 556.61 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-yl-3H-pyrrol-2-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 141024588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).