2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid

C18H19N5O5 — CID 171619257

IUPAC2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid
SMILESCOc1ccc(CNc2ncc(NC(=O)C(=O)O)c3cnn(C)c23)c(OC)c1
InChIInChI=1S/C18H19N5O5/c1-23-15-12(8-21-23)13(22-17(24)18(25)26)9-20-16(15)19-7-10-4-5-11(27-2)6-14(10)28-3/h4-6,8-9H,7H2,1-3H3,(H,19,20)(H,22,24)(H,25,26)
InChIKeyVLLARYLMEJEPOW-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.62
Rot. Bonds6

About 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid

2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid (PubChem CID 171619257) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid
PubChem CID171619257
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid
SMILESCOc1ccc(CNc2ncc(NC(=O)C(=O)O)c3cnn(C)c23)c(OC)c1
InChIInChI=1S/C18H19N5O5/c1-23-15-12(8-21-23)13(22-17(24)18(25)26)9-20-16(15)19-7-10-4-5-11(27-2)6-14(10)28-3/h4-6,8-9H,7H2,1-3H3,(H,19,20)(H,22,24)(H,25,26)
InChIKeyVLLARYLMEJEPOW-UHFFFAOYSA-N
XLogP1.62
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2,4-dimethoxyphenyl)methylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 170790056
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624729
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
5-[(2,4-dimethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630563
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid (CID 171619257) is 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid is COc1ccc(CNc2ncc(NC(=O)C(=O)O)c3cnn(C)c23)c(OC)c1.
What is the InChIKey of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?
The InChIKey is VLLARYLMEJEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-23-15-12(8-21-23)13(22-17(24)18(25)26)9-20-16(15)19-7-10-4-5-11(27-2)6-14(10)28-3/h4-6,8-9H,7H2,1-3H3,(H,19,20)(H,22,24)(H,25,26).
What are the key properties of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?
2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid has a molecular weight of 385.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 171619257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).