methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate

C20H22N2O2 — CID 67646807

IUPACmethyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)c(-c1c(C)cc(C)cc1C)c(C)n2C
InChIInChI=1S/C20H22N2O2/c1-11-9-12(2)17(13(3)10-11)18-14(4)22(5)16-8-7-15(20(23)24-6)21-19(16)18/h7-10H,1-6H3
InChIKeyCFIAOTPGTVGGGW-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.26
Rot. Bonds2

About methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate

methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate (PubChem CID 67646807) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate
PubChem CID67646807
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namemethyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)c(-c1c(C)cc(C)cc1C)c(C)n2C
InChIInChI=1S/C20H22N2O2/c1-11-9-12(2)17(13(3)10-11)18-14(4)22(5)16-8-7-15(20(23)24-6)21-19(16)18/h7-10H,1-6H3
InChIKeyCFIAOTPGTVGGGW-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Indocate
CID 65776
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
Amindocate
CID 178144
methyl 1-methyl-1H-indole-2-carboxylate
CID 258548
methyl 1,4-dimethyl-3-{[(3-methylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
CID 665587
methyl 6-oxo-6H-indolo[3,2,1-de][1,5]naphthyridine-2-carboxylate
CID 14669033
Ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxylate
CID 10860637
2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957536
Methyl 9-(3-morpholinopropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397328
methyl 1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 5421897
methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6198021
methyl 2-methyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 15630152

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate (CID 67646807) is methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)c(-c1c(C)cc(C)cc1C)c(C)n2C.
What is the InChIKey of methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate?
The InChIKey is CFIAOTPGTVGGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-11-9-12(2)17(13(3)10-11)18-14(4)22(5)16-8-7-15(20(23)24-6)21-19(16)18/h7-10H,1-6H3.
What are the key properties of methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate?
methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 67646807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).