methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H20N4O5 — CID 126831948

IUPACmethyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(NC(=O)CCCN(C)C(=O)OC)cc12
InChIInChI=1S/C16H20N4O5/c1-19(16(23)25-3)7-4-5-14(21)18-11-6-8-20-13(9-11)12(10-17-20)15(22)24-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyUTBVUDSUSOZNFJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.54
Rot. Bonds6

About methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 126831948) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID126831948
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Namemethyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(NC(=O)CCCN(C)C(=O)OC)cc12
InChIInChI=1S/C16H20N4O5/c1-19(16(23)25-3)7-4-5-14(21)18-11-6-8-20-13(9-11)12(10-17-20)15(22)24-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyUTBVUDSUSOZNFJ-UHFFFAOYSA-N
XLogP1.54
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
ethyl 5-(3-cyclohexylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556537
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556650
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556610
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556619
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808
methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134548276
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 126831948) is methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(NC(=O)CCCN(C)C(=O)OC)cc12.
What is the InChIKey of methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UTBVUDSUSOZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-19(16(23)25-3)7-4-5-14(21)18-11-6-8-20-13(9-11)12(10-17-20)15(22)24-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,21).
What are the key properties of methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 126831948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).