N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide

C23H29FN4O4S — CID 75543372

IUPACN-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3)NN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H29FN4O4S/c1-32-21-10-7-17(13-22(21)33(30,31)28-11-3-2-4-12-28)19-14-20(27-26-19)23(29)25-15-16-5-8-18(24)9-6-16/h5-10,13,19-20,26-27H,2-4,11-12,14-15H2,1H3,(H,25,29)
InChIKeyQWIORKWZNCBGAZ-UHFFFAOYSA-N
MW476.57 g/mol
LogP2.23
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75543372) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
PubChem CID75543372
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3)NN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H29FN4O4S/c1-32-21-10-7-17(13-22(21)33(30,31)28-11-3-2-4-12-28)19-14-20(27-26-19)23(29)25-15-16-5-8-18(24)9-6-16/h5-10,13,19-20,26-27H,2-4,11-12,14-15H2,1H3,(H,25,29)
InChIKeyQWIORKWZNCBGAZ-UHFFFAOYSA-N
XLogP2.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone
CID 75543326
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874981
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 28550303
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide (CID 75543372) is N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccc(F)cc3)NN2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is QWIORKWZNCBGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-32-21-10-7-17(13-22(21)33(30,31)28-11-3-2-4-12-28)19-14-20(27-26-19)23(29)25-15-16-5-8-18(24)9-6-16/h5-10,13,19-20,26-27H,2-4,11-12,14-15H2,1H3,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).