N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide

C86H77Cl2F2N15O5 — CID 157392376

IUPACN-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
SMILESCCC(=O)c1ccc(-c2cc(F)c(Cc3ncc(Cl)c(Cc4[nH]nc5ccccc45)n3)cc2C)cc1.CCC(=O)c1ccc(-c2cc(F)c(Cc3ncc(Cl)c(N(C(C)=O)c4cnc5ccccc5c4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1
InChIInChI=1S/C32H26ClFN4O2.C29H24ClFN4O.C25H27N7O2/c1-4-30(40)22-11-9-21(10-12-22)26-16-28(34)24(13-19(26)2)15-31-36-18-27(33)32(37-31)38(20(3)39)25-14-23-7-5-6-8-29(23)35-17-25;1-3-28(36)19-10-8-18(9-11-19)22-14-24(31)20(12-17(22)2)13-29-32-16-23(30)27(33-29)15-26-21-6-4-5-7-25(21)34-35-26;1-14-10-20(21(34-5)12-19(14)17-6-8-18(9-7-17)24(33)26-4)28-25-27-13-15(2)23(30-25)29-22-11-16(3)31-32-22/h5-14,16-18H,4,15H2,1-3H3;4-12,14,16H,3,13,15H2,1-2H3,(H,34,35);6-13H,1-5H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyBMDSKIHWUROXBF-UHFFFAOYSA-N
MW1509.56 g/mol
LogP19.20
Rot. Bonds21

About N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide

N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide (PubChem CID 157392376) has the molecular formula C86H77Cl2F2N15O5 and a molecular weight of 1509.56 g/mol. Its IUPAC name is N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
PubChem CID157392376
Molecular FormulaC86H77Cl2F2N15O5
Molecular Weight1509.56 g/mol
Exact Mass1507.56
IUPAC NameN-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
SMILESCCC(=O)c1ccc(-c2cc(F)c(Cc3ncc(Cl)c(Cc4[nH]nc5ccccc45)n3)cc2C)cc1.CCC(=O)c1ccc(-c2cc(F)c(Cc3ncc(Cl)c(N(C(C)=O)c4cnc5ccccc5c4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1
InChIInChI=1S/C32H26ClFN4O2.C29H24ClFN4O.C25H27N7O2/c1-4-30(40)22-11-9-21(10-12-22)26-16-28(34)24(13-19(26)2)15-31-36-18-27(33)32(37-31)38(20(3)39)25-14-23-7-5-6-8-29(23)35-17-25;1-3-28(36)19-10-8-18(9-11-19)22-14-24(31)20(12-17(22)2)13-29-32-16-23(30)27(33-29)15-26-21-6-4-5-7-25(21)34-35-26;1-14-10-20(21(34-5)12-19(14)17-6-8-18(9-7-17)24(33)26-4)28-25-27-13-15(2)23(30-25)29-22-11-16(3)31-32-22/h5-14,16-18H,4,15H2,1-3H3;4-12,14,16H,3,13,15H2,1-2H3,(H,34,35);6-13H,1-5H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyBMDSKIHWUROXBF-UHFFFAOYSA-N
XLogP19.20
TPSA264.43 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.56
LogP ≤ 519.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide with MolForge

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Related Compounds

2-[[2-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]oxyethyl-methylamino]methyl]-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 132214974
(11S,12R)-11-[4-[2-[3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]propoxy]ethylamino]phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 155308073
(11S,12R)-11-[4-[2-[3-[4-[(E)-2-(4-chloro-2-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]propoxy]ethylamino]phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 155308216
(11S,12R)-11-[4-[2-[2-[2-[4-[(E)-2-(4-chloro-2-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]ethoxy]ethoxy]ethylamino]phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 155308303
(11S,12R)-11-[4-[2-[2-[2-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]ethoxy]ethoxy]ethylamino]phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 155308429
N-[2-[[16-amino-5-ethynyl-3,11-difluoro-10-(4-methylpyrimidin-2-yl)oxy-4,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-21-yl]methyl]cyclopropyl]-6-[4-amino-7-methyl-6-[4-(2-methylprop-2-enoylamino)phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 155309482
1-[3-[2-(6-amino-3-pyridinyl)ethynyl]-4-chlorophenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-fluoro-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methoxy-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methyl-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-3H-pyrazol-1-ium-1-yl]ethanol;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-[2-[5-(methylamino)-3-pyridinyl]ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159369175
N-[8-amino-6-[4-(4,4-difluoropentanoyl)-2-methylphenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[2-(dimethylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 160320148
4-[4-[[5-chloro-4-[(4-ethyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide;4-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 160549004
1-[3-[2-(6-amino-3-pyridinyl)ethynyl]-4-chlorophenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-fluoro-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methoxy-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methyl-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-3H-pyrazol-1-ium-1-yl]ethanol;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[2-[5-(methylamino)-3-pyridinyl]ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 161398503
3-[4-[1-[[3-chloro-5-[3-fluoro-5-methyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione
CID 177301015
4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 157289359

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
The IUPAC name of N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide (CID 157392376) is N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
The canonical SMILES for N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide is CCC(=O)c1ccc(-c2cc(F)c(Cc3ncc(Cl)c(Cc4[nH]nc5ccccc45)n3)cc2C)cc1.CCC(=O)c1ccc(-c2cc(F)c(Cc3ncc(Cl)c(N(C(C)=O)c4cnc5ccccc5c4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.
What is the InChIKey of N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
The InChIKey is BMDSKIHWUROXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClFN4O2.C29H24ClFN4O.C25H27N7O2/c1-4-30(40)22-11-9-21(10-12-22)26-16-28(34)24(13-19(26)2)15-31-36-18-27(33)32(37-31)38(20(3)39)25-14-23-7-5-6-8-29(23)35-17-25;1-3-28(36)19-10-8-18(9-11-19)22-14-24(31)20(12-17(22)2)13-29-32-16-23(30)27(33-29)15-26-21-6-4-5-7-25(21)34-35-26;1-14-10-20(21(34-5)12-19(14)17-6-8-18(9-7-17)24(33)26-4)28-25-27-13-15(2)23(30-25)29-22-11-16(3)31-32-22/h5-14,16-18H,4,15H2,1-3H3;4-12,14,16H,3,13,15H2,1-2H3,(H,34,35);6-13H,1-5H3,(H,26,33)(H3,27,28,29,30,31,32).
What are the key properties of N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide has a molecular weight of 1509.56 g/mol, XLogP of 19.20, 21 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 157392376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).