4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide

C74H73Cl2F4N11O9S — CID 159850569

About 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide

4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 159850569) has the molecular formula C74H73Cl2F4N11O9S and a molecular weight of 1439.43 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
• PubChem CID: 159850569
• Molecular Formula: C74H73Cl2F4N11O9S
• Molecular Weight: 1439.43 g/mol
• Exact Mass: 1437.46
• IUPAC Name: 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
• SMILES: CCN(CC)CCNC(=O)C1=C(C)CC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(C)(F)F)c3)cc2)ccn1.CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
• InChI: InChI=1S/C29H26ClFN4O4S.C23H28FN3O2.C22H19ClF2N4O3/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-5-27(6-2)10-9-25-23(29)21-14(3)11-16(15(21)4)12-19-18-13-17(24)7-8-20(18)26-22(19)28;1-22(24,25)17-11-14(5-8-18(17)23)29-21(31)28-13-3-6-15(7-4-13)32-16-9-10-27-19(12-16)20(30)26-2/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);7-8,12-13H,5-6,9-11H2,1-4H3,(H,25,29)(H,26,28);3-12H,1-2H3,(H,26,30)(H2,28,29,31)/b;19-12-
• InChIKey: NPWKYMIVYMBCLL-OJSQDLCUSA-N
• XLogP: 15.44
• TPSA: 260.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1439.43
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

The IUPAC name of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide (CID 159850569) is 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide.

What is the SMILES notation for 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

The canonical SMILES for 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide is CCN(CC)CCNC(=O)C1=C(C)CC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(C)(F)F)c3)cc2)ccn1.CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.

What is the InChIKey of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

The InChIKey is NPWKYMIVYMBCLL-OJSQDLCUSA-N. The full InChI is InChI=1S/C29H26ClFN4O4S.C23H28FN3O2.C22H19ClF2N4O3/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-5-27(6-2)10-9-25-23(29)21-14(3)11-16(15(21)4)12-19-18-13-17(24)7-8-20(18)26-22(19)28;1-22(24,25)17-11-14(5-8-18(17)23)29-21(31)28-13-3-6-15(7-4-13)32-16-9-10-27-19(12-16)20(30)26-2/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);7-8,12-13H,5-6,9-11H2,1-4H3,(H,25,29)(H,26,28);3-12H,1-2H3,(H,26,30)(H2,28,29,31)/b;19-12-;.

What are the key properties of 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 1439.43 g/mol, XLogP of 15.44, 24 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 159850569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).