methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate

C18H18N4O4 — CID 134789116

IUPACmethyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccccc2OC)c2cnn(C)c2n1
InChIInChI=1S/C18H18N4O4/c1-22-17-13(9-20-22)12(11-6-4-5-7-15(11)25-2)8-14(21-17)18(24)19-10-16(23)26-3/h4-9H,10H2,1-3H3,(H,19,24)
InChIKeySRMCBVAKQZAFGP-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.55
Rot. Bonds5

About methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate

methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate (PubChem CID 134789116) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate
PubChem CID134789116
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namemethyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccccc2OC)c2cnn(C)c2n1
InChIInChI=1S/C18H18N4O4/c1-22-17-13(9-20-22)12(11-6-4-5-7-15(11)25-2)8-14(21-17)18(24)19-10-16(23)26-3/h4-9H,10H2,1-3H3,(H,19,24)
InChIKeySRMCBVAKQZAFGP-UHFFFAOYSA-N
XLogP1.55
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate (CID 134789116) is methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccccc2OC)c2cnn(C)c2n1.
What is the InChIKey of methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate?
The InChIKey is SRMCBVAKQZAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-22-17-13(9-20-22)12(11-6-4-5-7-15(11)25-2)8-14(21-17)18(24)19-10-16(23)26-3/h4-9H,10H2,1-3H3,(H,19,24).
What are the key properties of methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate?
methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate has a molecular weight of 354.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carbonyl]amino]acetate is sourced from PubChem (CID 134789116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).