[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C23H25N7O3S — CID 17022802

IUPAC[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cnn(C)c4)CC3)c3ccccc3n2)cn1
InChIInChI=1S/C23H25N7O3S/c1-3-29-15-17(13-25-29)22-12-20(19-6-4-5-7-21(19)26-22)23(31)28-8-10-30(11-9-28)34(32,33)18-14-24-27(2)16-18/h4-7,12-16H,3,8-11H2,1-2H3
InChIKeyUCVOAQVTHNNVTE-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.00
Rot. Bonds5

About [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17022802) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID17022802
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cnn(C)c4)CC3)c3ccccc3n2)cn1
InChIInChI=1S/C23H25N7O3S/c1-3-29-15-17(13-25-29)22-12-20(19-6-4-5-7-21(19)26-22)23(31)28-8-10-30(11-9-28)34(32,33)18-14-24-27(2)16-18/h4-7,12-16H,3,8-11H2,1-2H3
InChIKeyUCVOAQVTHNNVTE-UHFFFAOYSA-N
XLogP2.00
TPSA106.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19518891
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 31015660
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 29087971
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(4aR,8aR)-1-[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 51392196

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 17022802) is [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is CCn1cc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cnn(C)c4)CC3)c3ccccc3n2)cn1.
What is the InChIKey of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UCVOAQVTHNNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-3-29-15-17(13-25-29)22-12-20(19-6-4-5-7-21(19)26-22)23(31)28-8-10-30(11-9-28)34(32,33)18-14-24-27(2)16-18/h4-7,12-16H,3,8-11H2,1-2H3.
What are the key properties of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 479.57 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17022802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).