methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

C22H18N2O4 — CID 71617335

IUPACmethyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C22H18N2O4/c1-24-13-17(16-12-18(22(26)27-2)23-20(16)21(24)25)15-10-6-7-11-19(15)28-14-8-4-3-5-9-14/h3-13,23H,1-2H3
InChIKeyLRXNVAIQOGFUQW-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.11
Rot. Bonds4

About methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 71617335) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID71617335
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Namemethyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C22H18N2O4/c1-24-13-17(16-12-18(22(26)27-2)23-20(16)21(24)25)15-10-6-7-11-19(15)28-14-8-4-3-5-9-14/h3-13,23H,1-2H3
InChIKeyLRXNVAIQOGFUQW-UHFFFAOYSA-N
XLogP4.11
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 71617335) is methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(-c3ccccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1.
What is the InChIKey of methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is LRXNVAIQOGFUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-24-13-17(16-12-18(22(26)27-2)23-20(16)21(24)25)15-10-6-7-11-19(15)28-14-8-4-3-5-9-14/h3-13,23H,1-2H3.
What are the key properties of methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 71617335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).