N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide

C56H56F5N15O4 — CID 145145396

IUPACN-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2ccc(CN3CCN(CCCN(C)C(=O)c4c(Nc5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)ncnc4Oc4ccc5[nH]c(C)cc5c4F)CC3)nc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C56H56F5N15O4/c1-7-72(5)54(77)46-50(63-29-65-52(46)79-44-13-11-42-40(48(44)57)21-32(2)68-42)70-36-9-10-37(62-26-36)28-75-19-17-74(18-20-75)16-8-15-73(6)55(78)47-51(64-30-66-53(47)80-45-14-12-43-41(49(45)58)22-33(3)69-43)71-38-23-35(56(59,60)61)24-39(25-38)76-27-34(4)67-31-76/h9-14,21-27,29-31,68-69H,7-8,15-20,28H2,1-6H3,(H,63,65,70)(H,64,66,71)
InChIKeyHOBQKKDZOHAZCK-UHFFFAOYSA-N
MW1098.15 g/mol
LogP10.48
Rot. Bonds18

About N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide

N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide (PubChem CID 145145396) has the molecular formula C56H56F5N15O4 and a molecular weight of 1098.15 g/mol. Its IUPAC name is N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide
PubChem CID145145396
Molecular FormulaC56H56F5N15O4
Molecular Weight1098.15 g/mol
Exact Mass1097.46
IUPAC NameN-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2ccc(CN3CCN(CCCN(C)C(=O)c4c(Nc5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)ncnc4Oc4ccc5[nH]c(C)cc5c4F)CC3)nc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C56H56F5N15O4/c1-7-72(5)54(77)46-50(63-29-65-52(46)79-44-13-11-42-40(48(44)57)21-32(2)68-42)70-36-9-10-37(62-26-36)28-75-19-17-74(18-20-75)16-8-15-73(6)55(78)47-51(64-30-66-53(47)80-45-14-12-43-41(49(45)58)22-33(3)69-43)71-38-23-35(56(59,60)61)24-39(25-38)76-27-34(4)67-31-76/h9-14,21-27,29-31,68-69H,7-8,15-20,28H2,1-6H3,(H,63,65,70)(H,64,66,71)
InChIKeyHOBQKKDZOHAZCK-UHFFFAOYSA-N
XLogP10.48
TPSA203.47 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001098.15
LogP ≤ 510.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide 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-ethylpiperazin-1-yl)-[2-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-1H-imidazol-5-yl]methanone
CID 16065586
5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394281
5-[6-[(4-acetylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394313
5-[(6-acetyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-N-[2-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394419
5-[6-[(2-aminoimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394454
5-[6-[[(1S,4S)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394489
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(1H-imidazol-2-ylmethylamino)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394592
5-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394640
5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596394
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[6-(pyridine-3-carbonylamino)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 67530568
5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 67531302
N-(2-fluoro-5-methylphenyl)-5-[6-(imidazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 68353457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide (CID 145145396) is N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide is CCN(C)C(=O)c1c(Nc2ccc(CN3CCN(CCCN(C)C(=O)c4c(Nc5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)ncnc4Oc4ccc5[nH]c(C)cc5c4F)CC3)nc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is HOBQKKDZOHAZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56F5N15O4/c1-7-72(5)54(77)46-50(63-29-65-52(46)79-44-13-11-42-40(48(44)57)21-32(2)68-42)70-36-9-10-37(62-26-36)28-75-19-17-74(18-20-75)16-8-15-73(6)55(78)47-51(64-30-66-53(47)80-45-14-12-43-41(49(45)58)22-33(3)69-43)71-38-23-35(56(59,60)61)24-39(25-38)76-27-34(4)67-31-76/h9-14,21-27,29-31,68-69H,7-8,15-20,28H2,1-6H3,(H,63,65,70)(H,64,66,71).
What are the key properties of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide?
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 1098.15 g/mol, XLogP of 10.48, 18 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]-3-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 145145396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).