methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

C24H22N2O3 — CID 68755403

IUPACmethyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)c(C)cc23)n1
InChIInChI=1S/C24H22N2O3/c1-15-12-18-19(13-17-10-7-11-20(25-17)24(27)29-3)23(16-8-5-4-6-9-16)26-21(18)14-22(15)28-2/h4-12,14,26H,13H2,1-3H3
InChIKeyOIBMVYOBCKKSPS-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.92
Rot. Bonds5

About methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 68755403) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
PubChem CID68755403
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)c(C)cc23)n1
InChIInChI=1S/C24H22N2O3/c1-15-12-18-19(13-17-10-7-11-20(25-17)24(27)29-3)23(16-8-5-4-6-9-16)26-21(18)14-22(15)28-2/h4-12,14,26H,13H2,1-3H3
InChIKeyOIBMVYOBCKKSPS-UHFFFAOYSA-N
XLogP4.92
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097192
methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097172
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
methyl 6-[(6-ethoxy-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097186
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097254
3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 136601943
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 136601941
6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 68758001
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (CID 68755403) is methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)c(C)cc23)n1.
What is the InChIKey of methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is OIBMVYOBCKKSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-12-18-19(13-17-10-7-11-20(25-17)24(27)29-3)23(16-8-5-4-6-9-16)26-21(18)14-22(15)28-2/h4-12,14,26H,13H2,1-3H3.
What are the key properties of methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 68755403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).