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

C28H35N5O4S — CID 139392332

IUPACN-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CC(C)CC(C)C5)c4c3)CC2)cc1
InChIInChI=1S/C28H35N5O4S/c1-19-14-20(2)18-31(17-19)28(35)26-16-29-33-13-10-23(15-27(26)33)22-8-11-32(12-9-22)38(36,37)25-6-4-24(5-7-25)30-21(3)34/h4-7,10,13,15-16,19-20,22H,8-9,11-12,14,17-18H2,1-3H3,(H,30,34)
InChIKeyWQSSSEBHAWSAMU-UHFFFAOYSA-N
MW537.69 g/mol
LogP3.98
Rot. Bonds5

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

N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 139392332) has the molecular formula C28H35N5O4S and a molecular weight of 537.69 g/mol. Its IUPAC name is N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID139392332
Molecular FormulaC28H35N5O4S
Molecular Weight537.69 g/mol
Exact Mass537.24
IUPAC NameN-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CC(C)CC(C)C5)c4c3)CC2)cc1
InChIInChI=1S/C28H35N5O4S/c1-19-14-20(2)18-31(17-19)28(35)26-16-29-33-13-10-23(15-27(26)33)22-8-11-32(12-9-22)38(36,37)25-6-4-24(5-7-25)30-21(3)34/h4-7,10,13,15-16,19-20,22H,8-9,11-12,14,17-18H2,1-3H3,(H,30,34)
InChIKeyWQSSSEBHAWSAMU-UHFFFAOYSA-N
XLogP3.98
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 139392332) is N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[3-(3,5-dimethylpiperidine-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)N5CC(C)CC(C)C5)c4c3)CC2)cc1.
What is the InChIKey of N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is WQSSSEBHAWSAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4S/c1-19-14-20(2)18-31(17-19)28(35)26-16-29-33-13-10-23(15-27(26)33)22-8-11-32(12-9-22)38(36,37)25-6-4-24(5-7-25)30-21(3)34/h4-7,10,13,15-16,19-20,22H,8-9,11-12,14,17-18H2,1-3H3,(H,30,34).
What are the key properties of N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 537.69 g/mol, XLogP of 3.98, 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-(3,5-dimethylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 139392332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).