1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine

C30H30N2O — CID 162710494

IUPAC1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
SMILESCc1cnc(-c2cnc(C)c3c2oc2cc(C(C)c4ccccc4)ccc23)cc1CC(C)C
InChIInChI=1S/C30H30N2O/c1-18(2)13-24-14-27(32-16-19(24)3)26-17-31-21(5)29-25-12-11-23(15-28(25)33-30(26)29)20(4)22-9-7-6-8-10-22/h6-12,14-18,20H,13H2,1-5H3
InChIKeyIMHIORRDTSLVFY-UHFFFAOYSA-N
MW434.58 g/mol
LogP8.01
Rot. Bonds5

About 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine

1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 162710494) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
PubChem CID162710494
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
SMILESCc1cnc(-c2cnc(C)c3c2oc2cc(C(C)c4ccccc4)ccc23)cc1CC(C)C
InChIInChI=1S/C30H30N2O/c1-18(2)13-24-14-27(32-16-19(24)3)26-17-31-21(5)29-25-12-11-23(15-28(25)33-30(26)29)20(4)22-9-7-6-8-10-22/h6-12,14-18,20H,13H2,1-5H3
InChIKeyIMHIORRDTSLVFY-UHFFFAOYSA-N
XLogP8.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 162708647
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-8-(trideuteriomethyl)-3,20-dioxa-7-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 176823176
iridium;4-(2-methylpropyl)-2-phenylpyridine;2-(9-phenyldibenzofuran-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039030
4-ethyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129021064
4-(1,1-dideuterio-2-methylpropyl)-2-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-5-(trideuteriomethyl)pyridine
CID 169291810
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 163214388
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 163930237

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine (CID 162710494) is 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine is Cc1cnc(-c2cnc(C)c3c2oc2cc(C(C)c4ccccc4)ccc23)cc1CC(C)C.
What is the InChIKey of 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is IMHIORRDTSLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-18(2)13-24-14-27(32-16-19(24)3)26-17-31-21(5)29-25-12-11-23(15-28(25)33-30(26)29)20(4)22-9-7-6-8-10-22/h6-12,14-18,20H,13H2,1-5H3.
What are the key properties of 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine?
1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 434.58 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 162710494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).