N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C27H33N5O4S — CID 139392075

IUPACN-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)cc1
InChIInChI=1S/C27H33N5O4S/c1-19-7-12-30(13-8-19)27(34)25-18-28-32-16-11-22(17-26(25)32)21-9-14-31(15-10-21)37(35,36)24-5-3-23(4-6-24)29-20(2)33/h3-6,11,16-19,21H,7-10,12-15H2,1-2H3,(H,29,33)
InChIKeyOAFSKVWLYLCVJZ-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.73
Rot. Bonds5

About N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 139392075) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID139392075
Molecular FormulaC27H33N5O4S
Molecular Weight523.66 g/mol
Exact Mass523.23
IUPAC NameN-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)cc1
InChIInChI=1S/C27H33N5O4S/c1-19-7-12-30(13-8-19)27(34)25-18-28-32-16-11-22(17-26(25)32)21-9-14-31(15-10-21)37(35,36)24-5-3-23(4-6-24)29-20(2)33/h3-6,11,16-19,21H,7-10,12-15H2,1-2H3,(H,29,33)
InChIKeyOAFSKVWLYLCVJZ-UHFFFAOYSA-N
XLogP3.73
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 139392075) is N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)cc1.
What is the InChIKey of N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OAFSKVWLYLCVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S/c1-19-7-12-30(13-8-19)27(34)25-18-28-32-16-11-22(17-26(25)32)21-9-14-31(15-10-21)37(35,36)24-5-3-23(4-6-24)29-20(2)33/h3-6,11,16-19,21H,7-10,12-15H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 523.66 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 139392075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).