(2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide

C118H109Cl2F6N23O16 — CID 158322845

IUPAC(2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide
SMILESCC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1.CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1.CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.CC(=O)[C@H](C)Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)n1.CC(=O)c1cc(N2CCC[C@H]2C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1
InChIInChI=1S/C25H24F3N5O3.C24H23ClFN5O3.C24H24FN5O3.C23H20ClFN4O3.C22H18N4O4/c1-15(34)21-14-32(2)11-12-33(21)22-13-20(23(29)35)30-24(31-22)16-3-7-18(8-4-16)36-19-9-5-17(6-10-19)25(26,27)28;1-14(32)20-13-30(2)9-10-31(20)22-12-19(23(27)33)28-24(29-22)15-3-6-17(7-4-15)34-21-8-5-16(25)11-18(21)26;1-15(31)21-14-29(2)11-12-30(21)22-13-20(23(26)32)27-24(28-22)16-3-7-18(8-4-16)33-19-9-5-17(25)6-10-19;1-13(30)18-12-21(29-10-2-3-19(29)22(26)31)28-23(27-18)14-4-7-16(8-5-14)32-20-9-6-15(24)11-17(20)25;1-13(27)14(2)29-20-11-19(21(24)28)25-22(26-20)16-5-9-18(10-6-16)30-17-7-3-15(12-23)4-8-17/h3-10,13,21H,11-12,14H2,1-2H3,(H2,29,35);3-8,11-12,20H,9-10,13H2,1-2H3,(H2,27,33);3-10,13,21H,11-12,14H2,1-2H3,(H2,26,32);4-9,11-12,19H,2-3,10H2,1H3,(H2,26,31);3-11,14H,1-2H3,(H2,24,28)/t;;;19-;14-/m...00/s1
InChIKeyGPBGBPLGQGKSKG-YSKJKXKPSA-N
MW2290.21 g/mol
LogP17.83
Rot. Bonds31

About (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide

(2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide (PubChem CID 158322845) has the molecular formula C118H109Cl2F6N23O16 and a molecular weight of 2290.21 g/mol. Its IUPAC name is (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name(2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide
PubChem CID158322845
Molecular FormulaC118H109Cl2F6N23O16
Molecular Weight2290.21 g/mol
Exact Mass2287.77
IUPAC Name(2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide
SMILESCC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1.CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1.CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.CC(=O)[C@H](C)Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)n1.CC(=O)c1cc(N2CCC[C@H]2C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1
InChIInChI=1S/C25H24F3N5O3.C24H23ClFN5O3.C24H24FN5O3.C23H20ClFN4O3.C22H18N4O4/c1-15(34)21-14-32(2)11-12-33(21)22-13-20(23(29)35)30-24(31-22)16-3-7-18(8-4-16)36-19-9-5-17(6-10-19)25(26,27)28;1-14(32)20-13-30(2)9-10-31(20)22-12-19(23(27)33)28-24(29-22)15-3-6-17(7-4-15)34-21-8-5-16(25)11-18(21)26;1-15(31)21-14-29(2)11-12-30(21)22-13-20(23(26)32)27-24(28-22)16-3-7-18(8-4-16)33-19-9-5-17(25)6-10-19;1-13(30)18-12-21(29-10-2-3-19(29)22(26)31)28-23(27-18)14-4-7-16(8-5-14)32-20-9-6-15(24)11-17(20)25;1-13(27)14(2)29-20-11-19(21(24)28)25-22(26-20)16-5-9-18(10-6-16)30-17-7-3-15(12-23)4-8-17/h3-10,13,21H,11-12,14H2,1-2H3,(H2,29,35);3-8,11-12,20H,9-10,13H2,1-2H3,(H2,27,33);3-10,13,21H,11-12,14H2,1-2H3,(H2,26,32);4-9,11-12,19H,2-3,10H2,1H3,(H2,26,31);3-11,14H,1-2H3,(H2,24,28)/t;;;19-;14-/m...00/s1
InChIKeyGPBGBPLGQGKSKG-YSKJKXKPSA-N
XLogP17.83
TPSA531.55 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.21
LogP ≤ 517.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide (CID 158322845) is (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide is CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1.CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1.CC(=O)C1CN(C)CCN1c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.CC(=O)[C@H](C)Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)n1.CC(=O)c1cc(N2CCC[C@H]2C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1.
What is the InChIKey of (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide?
The InChIKey is GPBGBPLGQGKSKG-YSKJKXKPSA-N. The full InChI is InChI=1S/C25H24F3N5O3.C24H23ClFN5O3.C24H24FN5O3.C23H20ClFN4O3.C22H18N4O4/c1-15(34)21-14-32(2)11-12-33(21)22-13-20(23(29)35)30-24(31-22)16-3-7-18(8-4-16)36-19-9-5-17(6-10-19)25(26,27)28;1-14(32)20-13-30(2)9-10-31(20)22-12-19(23(27)33)28-24(29-22)15-3-6-17(7-4-15)34-21-8-5-16(25)11-18(21)26;1-15(31)21-14-29(2)11-12-30(21)22-13-20(23(26)32)27-24(28-22)16-3-7-18(8-4-16)33-19-9-5-17(25)6-10-19;1-13(30)18-12-21(29-10-2-3-19(29)22(26)31)28-23(27-18)14-4-7-16(8-5-14)32-20-9-6-15(24)11-17(20)25;1-13(27)14(2)29-20-11-19(21(24)28)25-22(26-20)16-5-9-18(10-6-16)30-17-7-3-15(12-23)4-8-17/h3-10,13,21H,11-12,14H2,1-2H3,(H2,29,35);3-8,11-12,20H,9-10,13H2,1-2H3,(H2,27,33);3-10,13,21H,11-12,14H2,1-2H3,(H2,26,32);4-9,11-12,19H,2-3,10H2,1H3,(H2,26,31);3-11,14H,1-2H3,(H2,24,28)/t;;;19-;14-/m...00/s1.
What are the key properties of (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide?
(2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide has a molecular weight of 2290.21 g/mol, XLogP of 17.83, 31 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-acetyl-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-(2-acetyl-4-methylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide;2-[4-(4-cyanophenoxy)phenyl]-6-[(2S)-3-oxobutan-2-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 158322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).