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

C98H80ClF5N20O11 — CID 167705626

IUPACN-[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
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Cc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCCNC5)C4)c4ccccc43)cc2c1.Cc1cccc(-n2cccc(C(=O)Nc3ccc(Oc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.O=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H30N4O.C25H19ClF2N4O4.C24H17FN6O3.C23H14F2N6O3/c1-18-8-9-22-19(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;1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26;1-14-4-2-5-16(10-14)31-9-3-6-17(24(31)33)22(32)30-15-7-8-19(18(25)11-15)34-23-20-21(27-12-26-20)28-13-29-23;24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h2-3,6-9,13-14,20,27-28H,4-5,10-12,15-17H2,1H3;3-13H,2H2,1H3,(H2,29,30)(H,31,33);2-13H,1H3,(H,30,32)(H,26,27,28,29);1-12H,(H,30,32)(H,26,27,28,29)/t20?,26-;;;/m1.../s1
InChIKeyZBEAYGAUULWCFY-UKGDSDNGSA-N
MW1844.29 g/mol
LogP16.84
Rot. Bonds19

About 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

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 (PubChem CID 167705626) has the molecular formula C98H80ClF5N20O11 and a molecular weight of 1844.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167705626
Molecular FormulaC98H80ClF5N20O11
Molecular Weight1844.29 g/mol
Exact Mass1842.59
IUPAC NameN-[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
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Cc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCCNC5)C4)c4ccccc43)cc2c1.Cc1cccc(-n2cccc(C(=O)Nc3ccc(Oc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.O=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H30N4O.C25H19ClF2N4O4.C24H17FN6O3.C23H14F2N6O3/c1-18-8-9-22-19(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;1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26;1-14-4-2-5-16(10-14)31-9-3-6-17(24(31)33)22(32)30-15-7-8-19(18(25)11-15)34-23-20-21(27-12-26-20)28-13-29-23;24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h2-3,6-9,13-14,20,27-28H,4-5,10-12,15-17H2,1H3;3-13H,2H2,1H3,(H2,29,30)(H,31,33);2-13H,1H3,(H,30,32)(H,26,27,28,29);1-12H,(H,30,32)(H,26,27,28,29)/t20?,26-;;;/m1.../s1
InChIKeyZBEAYGAUULWCFY-UKGDSDNGSA-N
XLogP16.84
TPSA389.42 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001844.29
LogP ≤ 516.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 160452553
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
CID 160728328
3-methoxy-4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-methylbenzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethoxy)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 161045175
2-(2,1-benzoxazol-7-yl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(5-chloro-4-fluoro-2-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-4-methyl-2-[5-(trifluoromethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(1,2-oxazol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(1,2-oxazol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 162038625
1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 167700718
4-[[5-(2-amino-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;N,3-dimethyl-4-[[4-(oxan-4-yloxy)-5-(3H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157126081
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668
8-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-ylpurine-2,8-diamine;1-(3-chloro-4-fluorophenyl)-3-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-9-propan-2-ylpurin-8-yl]amino]phenyl]urea;8-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-ylpurine-2,8-diamine;N-(3-fluorophenyl)-4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-9-propan-2-ylpurin-8-yl]amino]benzamide
CID 157913711
4-[[5-(2-amino-3H-benzimidazol-5-yl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[4-(oxan-4-yloxy)-5-(1,3-oxazol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157941673
3-chloro-N,N-dimethyl-4-[[4-(methylamino)-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;[3-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 158110185

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Cc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCCNC5)C4)c4ccccc43)cc2c1.Cc1cccc(-n2cccc(C(=O)Nc3ccc(Oc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.O=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 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?
The InChIKey is ZBEAYGAUULWCFY-UKGDSDNGSA-N. The full InChI is InChI=1S/C26H30N4O.C25H19ClF2N4O4.C24H17FN6O3.C23H14F2N6O3/c1-18-8-9-22-19(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;1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26;1-14-4-2-5-16(10-14)31-9-3-6-17(24(31)33)22(32)30-15-7-8-19(18(25)11-15)34-23-20-21(27-12-26-20)28-13-29-23;24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h2-3,6-9,13-14,20,27-28H,4-5,10-12,15-17H2,1H3;3-13H,2H2,1H3,(H2,29,30)(H,31,33);2-13H,1H3,(H,30,32)(H,26,27,28,29);1-12H,(H,30,32)(H,26,27,28,29)/t20?,26-;;;/m1.../s1.
What are the key properties of 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?
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 has a molecular weight of 1844.29 g/mol, XLogP of 16.84, 19 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167705626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).