N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide

C104H115ClF3N23O13S4 — CID 158930365

IUPACN-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)cn2)ccc1=O.CC(C)Cn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(NC4CCCC4)nc3)cn2)ccc1=O.CN1CC(Cn2cc(-n3cc(-c4ccc(NS(=O)(=O)C5CC5)cc4Cl)cn3)ccc2=O)C1
InChIInChI=1S/C22H24ClN5O3S.2C21H23FN4O3S.C20H21FN4O3S.C20H24N6O/c1-26-10-15(11-26)12-27-14-18(3-7-22(27)29)28-13-16(9-24-28)20-6-2-17(8-21(20)23)25-32(30,31)19-4-5-19;1-14(2)11-25-13-17(4-8-21(25)27)26-12-15(10-23-26)19-7-3-16(9-20(19)22)24-30(28,29)18-5-6-18;1-14(2)11-25-13-17(4-8-21(25)27)26-12-16(10-23-26)15-3-7-20(19(22)9-15)24-30(28,29)18-5-6-18;1-2-9-24-13-16(4-8-20(24)26)25-12-15(11-22-25)14-3-7-19(18(21)10-14)23-29(27,28)17-5-6-17;1-2-9-25-14-18(7-8-19(25)27)26-13-16(12-23-26)15-10-21-20(22-11-15)24-17-5-3-4-6-17/h2-3,6-9,13-15,19,25H,4-5,10-12H2,1H3;2*3-4,7-10,12-14,18,24H,5-6,11H2,1-2H3;3-4,7-8,10-13,17,23H,2,5-6,9H2,1H3;7-8,10-14,17H,2-6,9H2,1H3,(H,21,22,24)
InChIKeyJIYYQIIHNDYODT-UHFFFAOYSA-N
MW2115.93 g/mol
LogP16.03
Rot. Bonds34

About N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide

N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide (PubChem CID 158930365) has the molecular formula C104H115ClF3N23O13S4 and a molecular weight of 2115.93 g/mol. Its IUPAC name is N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide
PubChem CID158930365
Molecular FormulaC104H115ClF3N23O13S4
Molecular Weight2115.93 g/mol
Exact Mass2113.76
IUPAC NameN-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)cn2)ccc1=O.CC(C)Cn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(NC4CCCC4)nc3)cn2)ccc1=O.CN1CC(Cn2cc(-n3cc(-c4ccc(NS(=O)(=O)C5CC5)cc4Cl)cn3)ccc2=O)C1
InChIInChI=1S/C22H24ClN5O3S.2C21H23FN4O3S.C20H21FN4O3S.C20H24N6O/c1-26-10-15(11-26)12-27-14-18(3-7-22(27)29)28-13-16(9-24-28)20-6-2-17(8-21(20)23)25-32(30,31)19-4-5-19;1-14(2)11-25-13-17(4-8-21(25)27)26-12-15(10-23-26)19-7-3-16(9-20(19)22)24-30(28,29)18-5-6-18;1-14(2)11-25-13-17(4-8-21(25)27)26-12-16(10-23-26)15-3-7-20(19(22)9-15)24-30(28,29)18-5-6-18;1-2-9-24-13-16(4-8-20(24)26)25-12-15(11-22-25)14-3-7-19(18(21)10-14)23-29(27,28)17-5-6-17;1-2-9-25-14-18(7-8-19(25)27)26-13-16(12-23-26)15-10-21-20(22-11-15)24-17-5-3-4-6-17/h2-3,6-9,13-15,19,25H,4-5,10-12H2,1H3;2*3-4,7-10,12-14,18,24H,5-6,11H2,1-2H3;3-4,7-8,10-13,17,23H,2,5-6,9H2,1H3;7-8,10-14,17H,2-6,9H2,1H3,(H,21,22,24)
InChIKeyJIYYQIIHNDYODT-UHFFFAOYSA-N
XLogP16.03
TPSA424.83 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.93
LogP ≤ 516.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide (CID 158930365) is N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide is CC(C)Cn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)cn2)ccc1=O.CC(C)Cn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(NC4CCCC4)nc3)cn2)ccc1=O.CN1CC(Cn2cc(-n3cc(-c4ccc(NS(=O)(=O)C5CC5)cc4Cl)cn3)ccc2=O)C1.
What is the InChIKey of N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is JIYYQIIHNDYODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S.2C21H23FN4O3S.C20H21FN4O3S.C20H24N6O/c1-26-10-15(11-26)12-27-14-18(3-7-22(27)29)28-13-16(9-24-28)20-6-2-17(8-21(20)23)25-32(30,31)19-4-5-19;1-14(2)11-25-13-17(4-8-21(25)27)26-12-15(10-23-26)19-7-3-16(9-20(19)22)24-30(28,29)18-5-6-18;1-14(2)11-25-13-17(4-8-21(25)27)26-12-16(10-23-26)15-3-7-20(19(22)9-15)24-30(28,29)18-5-6-18;1-2-9-24-13-16(4-8-20(24)26)25-12-15(11-22-25)14-3-7-19(18(21)10-14)23-29(27,28)17-5-6-17;1-2-9-25-14-18(7-8-19(25)27)26-13-16(12-23-26)15-10-21-20(22-11-15)24-17-5-3-4-6-17/h2-3,6-9,13-15,19,25H,4-5,10-12H2,1H3;2*3-4,7-10,12-14,18,24H,5-6,11H2,1-2H3;3-4,7-8,10-13,17,23H,2,5-6,9H2,1H3;7-8,10-14,17H,2-6,9H2,1H3,(H,21,22,24).
What are the key properties of N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide?
N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 2115.93 g/mol, XLogP of 16.03, 34 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-[1-[(1-methylazetidin-3-yl)methyl]-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;5-[4-[2-(cyclopentylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[2-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-fluoro-4-[1-[1-(2-methylpropyl)-6-oxo-3-pyridinyl]pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[2-fluoro-4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 158930365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).