[(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium

C24H21N4O2+ — CID 78225556

IUPAC[(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium
SMILES[NH3+]C[C@H](Oc1cnc(-c2ccoc2)c(-c2c[nH]c3ncccc23)c1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/p+1/t22-/m0/s1
InChIKeyGQBPIQNQRCHGPJ-QFIPXVFZSA-O
MW397.46 g/mol
LogP4.25
Rot. Bonds6

About [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium

[(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium (PubChem CID 78225556) has the molecular formula C24H21N4O2+ and a molecular weight of 397.46 g/mol. Its IUPAC name is [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium
PubChem CID78225556
Molecular FormulaC24H21N4O2+
Molecular Weight397.46 g/mol
Exact Mass397.17
IUPAC Name[(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium
SMILES[NH3+]C[C@H](Oc1cnc(-c2ccoc2)c(-c2c[nH]c3ncccc23)c1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/p+1/t22-/m0/s1
InChIKeyGQBPIQNQRCHGPJ-QFIPXVFZSA-O
XLogP4.25
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium?
The IUPAC name of [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium (CID 78225556) is [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium.
What is the SMILES notation for [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium?
The canonical SMILES for [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium is [NH3+]C[C@H](Oc1cnc(-c2ccoc2)c(-c2c[nH]c3ncccc23)c1)c1ccccc1.
What is the InChIKey of [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium?
The InChIKey is GQBPIQNQRCHGPJ-QFIPXVFZSA-O. The full InChI is InChI=1S/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/p+1/t22-/m0/s1.
What are the key properties of [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium?
[(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium has a molecular weight of 397.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy]-2-phenylethyl]azanium is sourced from PubChem (CID 78225556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).