7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C29H28N2O — CID 90138378

IUPAC7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ncccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C29H28N2O/c1-17(2)20-8-6-9-21(16-20)22-10-7-15-30-27(22)26-19(5)11-12-23-24-13-14-25(18(3)4)31-29(24)32-28(23)26/h6-18H,1-5H3
InChIKeyLPYKBHZGUYVBHR-UHFFFAOYSA-N
MW420.56 g/mol
LogP8.27
Rot. Bonds4

About 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138378) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID90138378
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ncccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C29H28N2O/c1-17(2)20-8-6-9-21(16-20)22-10-7-15-30-27(22)26-19(5)11-12-23-24-13-14-25(18(3)4)31-29(24)32-28(23)26/h6-18H,1-5H3
InChIKeyLPYKBHZGUYVBHR-UHFFFAOYSA-N
XLogP8.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
1-(Dibenzo[b,d]furan-2-ylmethyl)-6-(2,4-dimethoxypyridin-3-yl)piperidin-2-one
CID 69085151
(6-Methoxy-2-naphthyl)[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]methanone
CID 16187717
(6-methoxy-2-naphthyl){1-[(2E)-3-(2-pyridinyl)-2-propenoyl]-3-piperidinyl}methanone
CID 16189178
N-(naphthalen-1-ylmethyl)benzofuro[2,3-b]pyridin-4-amine
CID 52948511
N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
CID 127028963
N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 127029526
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
CID 134142008
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide
CID 134150726
N-(dibenzo[b,d]furan-3-ylmethyl)-4-(pyrazin-2-yl)benzamide
CID 134156571

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 90138378) is 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ncccc1-c1cccc(C(C)C)c1.
What is the InChIKey of 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LPYKBHZGUYVBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-17(2)20-8-6-9-21(16-20)22-10-7-15-30-27(22)26-19(5)11-12-23-24-13-14-25(18(3)4)31-29(24)32-28(23)26/h6-18H,1-5H3.
What are the key properties of 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 420.56 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-8-[3-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).