[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone

C19H26N4O4S — CID 53183061

IUPAC[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C19H26N4O4S/c1-13-5-9-23(10-6-13)28(25,26)17-11-16(27-14(17)2)18-15(12-20-21-18)19(24)22-7-3-4-8-22/h11-13H,3-10H2,1-2H3,(H,20,21)
InChIKeyYBLJKVZTSSDHPD-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.63
Rot. Bonds4

About [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone

[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53183061) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53183061
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C19H26N4O4S/c1-13-5-9-23(10-6-13)28(25,26)17-11-16(27-14(17)2)18-15(12-20-21-18)19(24)22-7-3-4-8-22/h11-13H,3-10H2,1-2H3,(H,20,21)
InChIKeyYBLJKVZTSSDHPD-UHFFFAOYSA-N
XLogP2.63
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183128
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101
2-methyl-N-[(3-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183108
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183070
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183136
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183075
N-[(3-fluorophenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183099
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
(5-iodo-1H-pyrazol-4-yl)-(4-methylazepan-1-yl)methanone
CID 126824528
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 53031474
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974

Frequently Asked Questions

What is the IUPAC name of [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone (CID 53183061) is [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YBLJKVZTSSDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-13-5-9-23(10-6-13)28(25,26)17-11-16(27-14(17)2)18-15(12-20-21-18)19(24)22-7-3-4-8-22/h11-13H,3-10H2,1-2H3,(H,20,21).
What are the key properties of [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 406.51 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53183061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).