2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide

C96H110F5N23O11S6 — CID 164951829

IUPAC2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
SMILESC#Cc1ccc(N2CCN(C(=O)Cc3ccc(NS(=O)(=O)CC)cc3)CC2)nn1.CCS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.Cc1ccc(N2CCN(C(=O)Cc3ccc(S(F)(F)(F)(F)F)cc3)CC2)nn1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1
InChIInChI=1S/C21H22N4OS.C20H23N5O3S.C19H21N5O3S2.C19H25N5O3S.C17H19F5N4OS/c26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-3-17-9-10-19(22-21-17)24-11-13-25(14-12-24)20(26)15-16-5-7-18(8-6-16)23-29(27,28)4-2;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18;1-3-28(26,27)22-17-7-5-16(6-8-17)14-19(25)24-12-10-23(11-13-24)18-9-4-15(2)20-21-18;1-13-2-7-16(24-23-13)25-8-10-26(11-9-25)17(27)12-14-3-5-15(6-4-14)28(18,19,20,21)22/h1-6,9,17H,7-8,10-14H2;1,5-10,23H,4,11-15H2,2H3;2-8,22H,9-13H2,1H3;4-9,22H,3,10-14H2,1-2H3;2-7H,8-12H2,1H3
InChIKeyAQBYQWPBRLUQIO-UHFFFAOYSA-N
MW2049.48 g/mol
LogP12.30
Rot. Bonds25

About 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide

2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 164951829) has the molecular formula C96H110F5N23O11S6 and a molecular weight of 2049.48 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
PubChem CID164951829
Molecular FormulaC96H110F5N23O11S6
Molecular Weight2049.48 g/mol
Exact Mass2047.70
IUPAC Name2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
SMILESC#Cc1ccc(N2CCN(C(=O)Cc3ccc(NS(=O)(=O)CC)cc3)CC2)nn1.CCS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.Cc1ccc(N2CCN(C(=O)Cc3ccc(S(F)(F)(F)(F)F)cc3)CC2)nn1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1
InChIInChI=1S/C21H22N4OS.C20H23N5O3S.C19H21N5O3S2.C19H25N5O3S.C17H19F5N4OS/c26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-3-17-9-10-19(22-21-17)24-11-13-25(14-12-24)20(26)15-16-5-7-18(8-6-16)23-29(27,28)4-2;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18;1-3-28(26,27)22-17-7-5-16(6-8-17)14-19(25)24-12-10-23(11-13-24)18-9-4-15(2)20-21-18;1-13-2-7-16(24-23-13)25-8-10-26(11-9-25)17(27)12-14-3-5-15(6-4-14)28(18,19,20,21)22/h1-6,9,17H,7-8,10-14H2;1,5-10,23H,4,11-15H2,2H3;2-8,22H,9-13H2,1H3;4-9,22H,3,10-14H2,1-2H3;2-7H,8-12H2,1H3
InChIKeyAQBYQWPBRLUQIO-UHFFFAOYSA-N
XLogP12.30
TPSA385.16 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.48
LogP ≤ 512.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)
CID 165051554
2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]cyclopropanesulfonamide;bis(N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide);N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]propane-2-sulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
CID 164977458

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide (CID 164951829) is 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide is C#Cc1ccc(N2CCN(C(=O)Cc3ccc(NS(=O)(=O)CC)cc3)CC2)nn1.CCS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.Cc1ccc(N2CCN(C(=O)Cc3ccc(S(F)(F)(F)(F)F)cc3)CC2)nn1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is AQBYQWPBRLUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS.C20H23N5O3S.C19H21N5O3S2.C19H25N5O3S.C17H19F5N4OS/c26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-3-17-9-10-19(22-21-17)24-11-13-25(14-12-24)20(26)15-16-5-7-18(8-6-16)23-29(27,28)4-2;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18;1-3-28(26,27)22-17-7-5-16(6-8-17)14-19(25)24-12-10-23(11-13-24)18-9-4-15(2)20-21-18;1-13-2-7-16(24-23-13)25-8-10-26(11-9-25)17(27)12-14-3-5-15(6-4-14)28(18,19,20,21)22/h1-6,9,17H,7-8,10-14H2;1,5-10,23H,4,11-15H2,2H3;2-8,22H,9-13H2,1H3;4-9,22H,3,10-14H2,1-2H3;2-7H,8-12H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 2049.48 g/mol, XLogP of 12.30, 25 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;N-[4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanone;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 164951829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).