N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C28H27F3N4O3S — CID 160661520

IUPACN-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccn4nc(C(F)(F)F)c(C(=O)NCc5ccccc5)c4c3)CC2)cc1
InChIInChI=1S/C28H27F3N4O3S/c1-19-7-9-23(10-8-19)39(37,38)34-14-11-21(12-15-34)22-13-16-35-24(17-22)25(26(33-35)28(29,30)31)27(36)32-18-20-5-3-2-4-6-20/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,32,36)
InChIKeyRLSREFDNSZMPSW-UHFFFAOYSA-N
MW556.61 g/mol
LogP5.16
Rot. Bonds6

About N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 160661520) has the molecular formula C28H27F3N4O3S and a molecular weight of 556.61 g/mol. Its IUPAC name is N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID160661520
Molecular FormulaC28H27F3N4O3S
Molecular Weight556.61 g/mol
Exact Mass556.18
IUPAC NameN-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccn4nc(C(F)(F)F)c(C(=O)NCc5ccccc5)c4c3)CC2)cc1
InChIInChI=1S/C28H27F3N4O3S/c1-19-7-9-23(10-8-19)39(37,38)34-14-11-21(12-15-34)22-13-16-35-24(17-22)25(26(33-35)28(29,30)31)27(36)32-18-20-5-3-2-4-6-20/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,32,36)
InChIKeyRLSREFDNSZMPSW-UHFFFAOYSA-N
XLogP5.16
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[4-[4-[3-(4-methylpiperidine-1-carbonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]urea
CID 157102717
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389629
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41036184
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N,N-diethyl-5-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 50848703
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 160661520) is N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(c3ccn4nc(C(F)(F)F)c(C(=O)NCc5ccccc5)c4c3)CC2)cc1.
What is the InChIKey of N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is RLSREFDNSZMPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3S/c1-19-7-9-23(10-8-19)39(37,38)34-14-11-21(12-15-34)22-13-16-35-24(17-22)25(26(33-35)28(29,30)31)27(36)32-18-20-5-3-2-4-6-20/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,32,36).
What are the key properties of N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 556.61 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 160661520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).