ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

C31H28N2O4 — CID 159767639

IUPACethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(c3ccccc3)c3ccccc3O)cn(C)c(=O)c2n1-c1ccccc1C
InChIInChI=1S/C31H28N2O4/c1-4-37-31(36)26-18-23-24(28(21-13-6-5-7-14-21)22-15-9-11-17-27(22)34)19-32(3)30(35)29(23)33(26)25-16-10-8-12-20(25)2/h5-19,28,34H,4H2,1-3H3
InChIKeyNFRZTNNEXDNZJM-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.70
Rot. Bonds6

About ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 159767639) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID159767639
Molecular FormulaC31H28N2O4
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Nameethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(c3ccccc3)c3ccccc3O)cn(C)c(=O)c2n1-c1ccccc1C
InChIInChI=1S/C31H28N2O4/c1-4-37-31(36)26-18-23-24(28(21-13-6-5-7-14-21)22-15-9-11-17-27(22)34)19-32(3)30(35)29(23)33(26)25-16-10-8-12-20(25)2/h5-19,28,34H,4H2,1-3H3
InChIKeyNFRZTNNEXDNZJM-UHFFFAOYSA-N
XLogP5.70
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
CID 121444678
ethyl 2-methyl-4-(2-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118654965
ethyl 5-methyl-2-(2-methylphenyl)triazole-4-carboxylate
CID 50873970
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 1-benzyl-4-[2-(4-chloroanilino)phenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
CID 118863200
ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842422
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl 2-[[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 4803835
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate
CID 117468952
ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
CID 164851424
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate (CID 159767639) is ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2c(C(c3ccccc3)c3ccccc3O)cn(C)c(=O)c2n1-c1ccccc1C.
What is the InChIKey of ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is NFRZTNNEXDNZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-4-37-31(36)26-18-23-24(28(21-13-6-5-7-14-21)22-15-9-11-17-27(22)34)19-32(3)30(35)29(23)33(26)25-16-10-8-12-20(25)2/h5-19,28,34H,4H2,1-3H3.
What are the key properties of ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 492.58 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-hydroxyphenyl)-phenylmethyl]-6-methyl-1-(2-methylphenyl)-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 159767639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).