3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

C101H96Cl2F4N18O9S — CID 167590770

IUPAC3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCC(C)S(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl.CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Cc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCCNC5)C4)c4ccccc43)cc2c1.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H20ClF2N3O4.C26H30N4O.C25H31ClN6OS.C24H15F2N5O3/c1-2-35-21-10-12-32(17-6-4-16(28)5-7-17)26(34)23(21)19(33)14-15-3-8-20(18(29)13-15)36-22-9-11-31-25(30)24(22)27;1-18-8-9-22-19(13-18)14-23(28-22)25(31)30-17-26(21-6-2-3-7-24(21)30)10-12-29(16-26)20-5-4-11-27-15-20;1-18(2)34(33)23-7-5-4-6-22(23)29-24-21(26)16-27-25(30-24)28-20-10-8-19(9-11-20)17-32-14-12-31(3)13-15-32;25-15-4-6-16(7-5-15)31-9-1-2-17(24(31)33)19(32)11-14-3-8-20(18(26)10-14)34-23-21-22(28-12-27-21)29-13-30-23/h3-13H,2,14H2,1H3,(H2,30,31);2-3,6-9,13-14,20,27-28H,4-5,10-12,15-17H2,1H3;4-11,16,18H,12-15,17H2,1-3H3,(H2,27,28,29,30);1-10,12-13H,11H2,(H,27,28,29,30)/t;20?,26-;;/m.1../s1
InChIKeyIKEYYUKBAXPXNZ-JFLLZKJUSA-N
MW1884.96 g/mol
LogP18.08
Rot. Bonds24

About 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (PubChem CID 167590770) has the molecular formula C101H96Cl2F4N18O9S and a molecular weight of 1884.96 g/mol. Its IUPAC name is 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.

Molecular Properties

Compound Name3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
PubChem CID167590770
Molecular FormulaC101H96Cl2F4N18O9S
Molecular Weight1884.96 g/mol
Exact Mass1882.66
IUPAC Name3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCC(C)S(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl.CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Cc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCCNC5)C4)c4ccccc43)cc2c1.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H20ClF2N3O4.C26H30N4O.C25H31ClN6OS.C24H15F2N5O3/c1-2-35-21-10-12-32(17-6-4-16(28)5-7-17)26(34)23(21)19(33)14-15-3-8-20(18(29)13-15)36-22-9-11-31-25(30)24(22)27;1-18-8-9-22-19(13-18)14-23(28-22)25(31)30-17-26(21-6-2-3-7-24(21)30)10-12-29(16-26)20-5-4-11-27-15-20;1-18(2)34(33)23-7-5-4-6-22(23)29-24-21(26)16-27-25(30-24)28-20-10-8-19(9-11-20)17-32-14-12-31(3)13-15-32;25-15-4-6-16(7-5-15)31-9-1-2-17(24(31)33)19(32)11-14-3-8-20(18(26)10-14)34-23-21-22(28-12-27-21)29-13-30-23/h3-13H,2,14H2,1H3,(H2,30,31);2-3,6-9,13-14,20,27-28H,4-5,10-12,15-17H2,1H3;4-11,16,18H,12-15,17H2,1-3H3,(H2,27,28,29,30);1-10,12-13H,11H2,(H,27,28,29,30)/t;20?,26-;;/m.1../s1
InChIKeyIKEYYUKBAXPXNZ-JFLLZKJUSA-N
XLogP18.08
TPSA323.96 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.96
LogP ≤ 518.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate
CID 159992563
3-chloro-4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N,N-dimethylbenzamide;5-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyridine-2-carboxamide;N,3-dimethyl-4-[[5-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N,3-dimethylbenzamide
CID 160119933
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide;N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 167705626

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The IUPAC name of 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (CID 167590770) is 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.
What is the SMILES notation for 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The canonical SMILES for 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is CC(C)S(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl.CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Cc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCCNC5)C4)c4ccccc43)cc2c1.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The InChIKey is IKEYYUKBAXPXNZ-JFLLZKJUSA-N. The full InChI is InChI=1S/C26H20ClF2N3O4.C26H30N4O.C25H31ClN6OS.C24H15F2N5O3/c1-2-35-21-10-12-32(17-6-4-16(28)5-7-17)26(34)23(21)19(33)14-15-3-8-20(18(29)13-15)36-22-9-11-31-25(30)24(22)27;1-18-8-9-22-19(13-18)14-23(28-22)25(31)30-17-26(21-6-2-3-7-24(21)30)10-12-29(16-26)20-5-4-11-27-15-20;1-18(2)34(33)23-7-5-4-6-22(23)29-24-21(26)16-27-25(30-24)28-20-10-8-19(9-11-20)17-32-14-12-31(3)13-15-32;25-15-4-6-16(7-5-15)31-9-1-2-17(24(31)33)19(32)11-14-3-8-20(18(26)10-14)34-23-21-22(28-12-27-21)29-13-30-23/h3-13H,2,14H2,1H3,(H2,30,31);2-3,6-9,13-14,20,27-28H,4-5,10-12,15-17H2,1H3;4-11,16,18H,12-15,17H2,1-3H3,(H2,27,28,29,30);1-10,12-13H,11H2,(H,27,28,29,30)/t;20?,26-;;/m.1../s1.
What are the key properties of 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone has a molecular weight of 1884.96 g/mol, XLogP of 18.08, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is sourced from PubChem (CID 167590770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).