methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate

C24H21N3O4 — CID 166596703

IUPACmethyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1
InChIInChI=1S/C24H21N3O4/c1-31-24(30)19-7-9-20(10-8-19)25-21(28)16-27-14-12-18-11-13-26(22(18)23(27)29)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyBKUKIQZUOPHAHM-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.28
Rot. Bonds6

About methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate

methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate (PubChem CID 166596703) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
PubChem CID166596703
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Namemethyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1
InChIInChI=1S/C24H21N3O4/c1-31-24(30)19-7-9-20(10-8-19)25-21(28)16-27-14-12-18-11-13-26(22(18)23(27)29)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyBKUKIQZUOPHAHM-UHFFFAOYSA-N
XLogP3.28
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
CID 52906421
2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 53164302
methyl 1-benzyl-3-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]pyrrole-2-carboxylate
CID 100760823
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 52906420
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
methyl 2-[[2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetyl]amino]benzoate
CID 53164273
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53164237
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate (CID 166596703) is methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1.
What is the InChIKey of methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate?
The InChIKey is BKUKIQZUOPHAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-31-24(30)19-7-9-20(10-8-19)25-21(28)16-27-14-12-18-11-13-26(22(18)23(27)29)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate?
methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate has a molecular weight of 415.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate is sourced from PubChem (CID 166596703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).