(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone

C24H30N6O3S — CID 166173255

IUPAC(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccnc4ccccc34)CC2)C1
InChIInChI=1S/C24H30N6O3S/c1-17-23(18(2)27(3)26-17)34(32,33)30-11-9-19(16-30)24(31)29-14-12-28(13-15-29)22-8-10-25-21-7-5-4-6-20(21)22/h4-8,10,19H,9,11-16H2,1-3H3/t19-/m0/s1
InChIKeyKQXPVXVTLLOWFG-IBGZPJMESA-N
MW482.61 g/mol
LogP1.94
Rot. Bonds4

About (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone

(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone (PubChem CID 166173255) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
PubChem CID166173255
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccnc4ccccc34)CC2)C1
InChIInChI=1S/C24H30N6O3S/c1-17-23(18(2)27(3)26-17)34(32,33)30-11-9-19(16-30)24(31)29-14-12-28(13-15-29)22-8-10-25-21-7-5-4-6-20(21)22/h4-8,10,19H,9,11-16H2,1-3H3/t19-/m0/s1
InChIKeyKQXPVXVTLLOWFG-IBGZPJMESA-N
XLogP1.94
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 166110374
N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 166110439
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 136542936
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 128850011
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 91952338

Frequently Asked Questions

What is the IUPAC name of (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone (CID 166173255) is (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone is Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccnc4ccccc34)CC2)C1.
What is the InChIKey of (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone?
The InChIKey is KQXPVXVTLLOWFG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-17-23(18(2)27(3)26-17)34(32,33)30-11-9-19(16-30)24(31)29-14-12-28(13-15-29)22-8-10-25-21-7-5-4-6-20(21)22/h4-8,10,19H,9,11-16H2,1-3H3/t19-/m0/s1.
What are the key properties of (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone?
(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone has a molecular weight of 482.61 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 166173255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).