ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C17H22N4O5S — CID 71797810

IUPACethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc12
InChIInChI=1S/C17H22N4O5S/c1-3-26-17(23)14-11-18-21-9-6-13(10-15(14)21)19-16(22)12-4-7-20(8-5-12)27(2,24)25/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,22)
InChIKeyYISIKNSGVAQVOO-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.12
Rot. Bonds5

About ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797810) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797810
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Nameethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc12
InChIInChI=1S/C17H22N4O5S/c1-3-26-17(23)14-11-18-21-9-6-13(10-15(14)21)19-16(22)12-4-7-20(8-5-12)27(2,24)25/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,22)
InChIKeyYISIKNSGVAQVOO-UHFFFAOYSA-N
XLogP1.12
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871
Ethyl 4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)benzoate
CID 20868507
4-[[Oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester
CID 2140163
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
ethyl 3-cyano-5-methyl-4-(phenylamino)H-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791626
ethyl 9-[2-(acetylamino)ethyl]-2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridine-1-carboxylate
CID 59145881
Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate
CID 59476232
Ethyl 5-amino-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 89618402
Ethyl 5-amino-6-fluoropyrazolo(1,5-a)pyridine-3-carboxylate
CID 137951714
Methyl 2-{pyrazolo[1,5-A]pyridine-2-amido}benzoate
CID 16024865
Ethyl 5-(2-chloro-6-fluorobenzamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797789

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797810) is ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc12.
What is the InChIKey of ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YISIKNSGVAQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-3-26-17(23)14-11-18-21-9-6-13(10-15(14)21)19-16(22)12-4-7-20(8-5-12)27(2,24)25/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,22).
What are the key properties of ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).