1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine

C27H24N2O — CID 162709173

IUPAC1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESCc1cc2oc3ccc(-c4cc(C(C)C)ccn4)cc3c2c(Cc2ccccc2)n1
InChIInChI=1S/C27H24N2O/c1-17(2)20-11-12-28-23(16-20)21-9-10-25-22(15-21)27-24(14-19-7-5-4-6-8-19)29-18(3)13-26(27)30-25/h4-13,15-17H,14H2,1-3H3
InChIKeyWYFPFTMYZDPIAR-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.07
Rot. Bonds4

About 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine

1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 162709173) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
PubChem CID162709173
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESCc1cc2oc3ccc(-c4cc(C(C)C)ccn4)cc3c2c(Cc2ccccc2)n1
InChIInChI=1S/C27H24N2O/c1-17(2)20-11-12-28-23(16-20)21-9-10-25-22(15-21)27-24(14-19-7-5-4-6-8-19)29-18(3)13-26(27)30-25/h4-13,15-17H,14H2,1-3H3
InChIKeyWYFPFTMYZDPIAR-UHFFFAOYSA-N
XLogP7.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 162710331
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
CID 162707230
2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 162708417
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
CID 166578919
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
CID 164792300
8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
CID 162709674

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (CID 162709173) is 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is Cc1cc2oc3ccc(-c4cc(C(C)C)ccn4)cc3c2c(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is WYFPFTMYZDPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-17(2)20-11-12-28-23(16-20)21-9-10-25-22(15-21)27-24(14-19-7-5-4-6-8-19)29-18(3)13-26(27)30-25/h4-13,15-17H,14H2,1-3H3.
What are the key properties of 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 392.50 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 162709173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).