2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

C32H18N4O2 — CID 130191532

IUPAC2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12
InChIInChI=1S/C32H18N4O2/c1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30/h1-18H
InChIKeyVOTVWGQEYWHZIU-UHFFFAOYSA-N
MW490.52 g/mol
LogP8.07
Rot. Bonds3

About 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191532) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID130191532
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12
InChIInChI=1S/C32H18N4O2/c1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30/h1-18H
InChIKeyVOTVWGQEYWHZIU-UHFFFAOYSA-N
XLogP8.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

6-(4-Piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
CID 164946801
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 5280206
example 184 [WO2014186035]
CID 86280679
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
(NE)-N-[5-[(2-pyridin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136030631
methyl 1-(pyridin-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 3238867
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53316583
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137632564
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137642259
N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137647438

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (CID 130191532) is 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12.
What is the InChIKey of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is VOTVWGQEYWHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30/h1-18H.
What are the key properties of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 490.52 g/mol, XLogP of 8.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).