6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C21H16N4O — CID 71036683

IUPAC6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(C2Cc3cc(-c4ccncn4)c(-c4ccco4)nc3N2)cc1
InChIInChI=1S/C21H16N4O/c1-2-5-14(6-3-1)18-12-15-11-16(17-8-9-22-13-23-17)20(25-21(15)24-18)19-7-4-10-26-19/h1-11,13,18H,12H2,(H,24,25)
InChIKeyCJCMGFPJLJFLSN-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.51
Rot. Bonds3

About 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71036683) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID71036683
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(C2Cc3cc(-c4ccncn4)c(-c4ccco4)nc3N2)cc1
InChIInChI=1S/C21H16N4O/c1-2-5-14(6-3-1)18-12-15-11-16(17-8-9-22-13-23-17)20(25-21(15)24-18)19-7-4-10-26-19/h1-11,13,18H,12H2,(H,24,25)
InChIKeyCJCMGFPJLJFLSN-UHFFFAOYSA-N
XLogP4.51
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 71036683) is 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is c1ccc(C2Cc3cc(-c4ccncn4)c(-c4ccco4)nc3N2)cc1.
What is the InChIKey of 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CJCMGFPJLJFLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-5-14(6-3-1)18-12-15-11-16(17-8-9-22-13-23-17)20(25-21(15)24-18)19-7-4-10-26-19/h1-11,13,18H,12H2,(H,24,25).
What are the key properties of 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 340.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-phenyl-5-pyrimidin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).