[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate

C16H13N5O5 — CID 166382697

IUPAC[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)COC(=O)c2nccc3[nH]ncc23)n1
InChIInChI=1S/C16H13N5O5/c1-25-15(23)11-3-2-4-12(19-11)20-13(22)8-26-16(24)14-9-7-18-21-10(9)5-6-17-14/h2-7H,8H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyLCHKZULEXZPONN-UHFFFAOYSA-N
MW355.31 g/mol
LogP0.94
Rot. Bonds5

About [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate

[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate (PubChem CID 166382697) has the molecular formula C16H13N5O5 and a molecular weight of 355.31 g/mol. Its IUPAC name is [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
PubChem CID166382697
Molecular FormulaC16H13N5O5
Molecular Weight355.31 g/mol
Exact Mass355.09
IUPAC Name[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)COC(=O)c2nccc3[nH]ncc23)n1
InChIInChI=1S/C16H13N5O5/c1-25-15(23)11-3-2-4-12(19-11)20-13(22)8-26-16(24)14-9-7-18-21-10(9)5-6-17-14/h2-7H,8H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyLCHKZULEXZPONN-UHFFFAOYSA-N
XLogP0.94
TPSA136.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate with MolForge

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Related Compounds

ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
CID 76847175
methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate
CID 130219539
[2-(2,6-dimethylanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823430
[2-(4-fluoroanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823440
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057679
[2-(2-chloro-6-methylanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823393
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2478469
methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
CID 118173164
bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 3899797
[2-(3,5-dichloroanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823384
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 23852012
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
The IUPAC name of [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate (CID 166382697) is [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate.
What is the SMILES notation for [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
The canonical SMILES for [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate is COC(=O)c1cccc(NC(=O)COC(=O)c2nccc3[nH]ncc23)n1.
What is the InChIKey of [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
The InChIKey is LCHKZULEXZPONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O5/c1-25-15(23)11-3-2-4-12(19-11)20-13(22)8-26-16(24)14-9-7-18-21-10(9)5-6-17-14/h2-7H,8H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate has a molecular weight of 355.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 166382697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).