3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver

C22H23Ag2N5O8 — CID 161493773

IUPAC3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver
SMILESC.CN(C)C(=O)c1c(C(=O)O)[nH]c2ncccc12.COC(=O)c1[nH]c2ncccc2c1C(=O)O.O=[Ag].[Ag]
InChIInChI=1S/C11H11N3O3.C10H8N2O4.CH4.2Ag.O/c1-14(2)10(15)7-6-4-3-5-12-9(6)13-8(7)11(16)17;1-16-10(15)7-6(9(13)14)5-3-2-4-11-8(5)12-7;;;;/h3-5H,1-2H3,(H,12,13)(H,16,17);2-4H,1H3,(H,11,12)(H,13,14);1H4;;;
InChIKeyQXGZTQRGBCNOTI-UHFFFAOYSA-N
MW701.19 g/mol
LogP2.52
Rot. Bonds4

About 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver

3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver (PubChem CID 161493773) has the molecular formula C22H23Ag2N5O8 and a molecular weight of 701.19 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver
PubChem CID161493773
Molecular FormulaC22H23Ag2N5O8
Molecular Weight701.19 g/mol
Exact Mass698.96
IUPAC Name3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver
SMILESC.CN(C)C(=O)c1c(C(=O)O)[nH]c2ncccc12.COC(=O)c1[nH]c2ncccc2c1C(=O)O.O=[Ag].[Ag]
InChIInChI=1S/C11H11N3O3.C10H8N2O4.CH4.2Ag.O/c1-14(2)10(15)7-6-4-3-5-12-9(6)13-8(7)11(16)17;1-16-10(15)7-6(9(13)14)5-3-2-4-11-8(5)12-7;;;;/h3-5H,1-2H3,(H,12,13)(H,16,17);2-4H,1H3,(H,11,12)(H,13,14);1H4;;;
InChIKeyQXGZTQRGBCNOTI-UHFFFAOYSA-N
XLogP2.52
TPSA195.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500701.19
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver with MolForge

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Related Compounds

methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
5-{5-Methyl-2-[(pyridin-4-ylmethyl)-carbamoyl]-3H-imidazol-4-yl}-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
CID 66989117
methyl 5-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89899405
methyl 3-(acetylamino)-5-[(3-cyclohexen-1-ylmethyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 45162694
5-fluoro-3-[5-fluoro-4-[[(1S,3R)-3-(pyrrolidine-1-carbonylamino)cyclohexyl]amino]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 134137822
methyl 5-[[2-methyl-5-(1H-pyrrole-3-carbonylamino)phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76900805
5-(methoxycarbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 69228517
methyl 1-isobutyl-5-(isobutylamino)-3-[(3-pyridinylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26134993
methyl 5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 137659569
methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866046
US10294214, Example 34
CID 132201907
methyl 3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26147543

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver?
The IUPAC name of 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver (CID 161493773) is 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver.
What is the SMILES notation for 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver?
The canonical SMILES for 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver is C.CN(C)C(=O)c1c(C(=O)O)[nH]c2ncccc12.COC(=O)c1[nH]c2ncccc2c1C(=O)O.O=[Ag].[Ag].
What is the InChIKey of 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver?
The InChIKey is QXGZTQRGBCNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3.C10H8N2O4.CH4.2Ag.O/c1-14(2)10(15)7-6-4-3-5-12-9(6)13-8(7)11(16)17;1-16-10(15)7-6(9(13)14)5-3-2-4-11-8(5)12-7;;;;/h3-5H,1-2H3,(H,12,13)(H,16,17);2-4H,1H3,(H,11,12)(H,13,14);1H4;;;.
What are the key properties of 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver?
3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver has a molecular weight of 701.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methane;2-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;oxosilver;silver is sourced from PubChem (CID 161493773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).