1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

C162H155Cl5F3N41O14 — CID 162080828

IUPAC1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCc1[nH]ncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(F)c(Cl)c3)c(=O)c2)n1.Cc1nn(C)cc1Nc1nccc(-c2ccn(C(c3ccc(Cl)c(F)c3)c3cnn(C)c3)c(=O)c2)n1.Cn1c(Cn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)nc2ccccc21.Cn1cc(C(c2ccc(Cl)c(Cl)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(Cl)c[nH]c2c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(c1)NCC2.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2ccccc2o1
InChIInChI=1S/C25H23Cl2FN6O2.C25H22ClFN8O.C23H22ClN5O2.C23H24N6O2.C23H25N5O2.C22H21N5O3.C21H18ClFN6O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18;1-15-22(14-34(3)32-15)31-25-28-8-6-21(30-25)16-7-9-35(23(36)11-16)24(18-12-29-33(2)13-18)17-4-5-19(26)20(27)10-17;24-19-13-26-21-11-15(1-2-18(19)21)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-17-5-9-31-10-6-17;1-28-20-5-3-2-4-19(20)26-21(28)15-29-11-7-16(14-22(29)30)18-6-10-24-23(27-18)25-17-8-12-31-13-9-17;29-22-14-18(20-4-9-25-23(27-20)26-19-6-11-30-12-7-19)5-10-28(22)15-16-1-2-17-3-8-24-21(17)13-16;28-21-13-15(17-5-9-23-22(26-17)24-16-7-11-29-12-8-16)6-10-27(21)14-20-25-18-3-1-2-4-19(18)30-20;1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-16(23)15(22)8-14/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);4-14,24H,1-3H3,(H,28,30,31);1-4,7-8,11-13,17,26H,5-6,9-10,14H2,(H,25,27,28);2-7,10-11,14,17H,8-9,12-13,15H2,1H3,(H,24,25,27);1-2,4-5,9-10,13-14,19,24H,3,6-8,11-12,15H2,(H,25,26,27);1-6,9-10,13,16H,7-8,11-12,14H2,(H,23,24,26);2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t;;;;;;19-/m......1/s1
InChIKeyZCHXFHHRFZWUHM-IBSIRIDWSA-N
MW3134.55 g/mol
LogP25.33
Rot. Bonds38

About 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 162080828) has the molecular formula C162H155Cl5F3N41O14 and a molecular weight of 3134.55 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID162080828
Molecular FormulaC162H155Cl5F3N41O14
Molecular Weight3134.55 g/mol
Exact Mass3130.11
IUPAC Name1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCc1[nH]ncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(F)c(Cl)c3)c(=O)c2)n1.Cc1nn(C)cc1Nc1nccc(-c2ccn(C(c3ccc(Cl)c(F)c3)c3cnn(C)c3)c(=O)c2)n1.Cn1c(Cn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)nc2ccccc21.Cn1cc(C(c2ccc(Cl)c(Cl)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(Cl)c[nH]c2c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(c1)NCC2.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2ccccc2o1
InChIInChI=1S/C25H23Cl2FN6O2.C25H22ClFN8O.C23H22ClN5O2.C23H24N6O2.C23H25N5O2.C22H21N5O3.C21H18ClFN6O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18;1-15-22(14-34(3)32-15)31-25-28-8-6-21(30-25)16-7-9-35(23(36)11-16)24(18-12-29-33(2)13-18)17-4-5-19(26)20(27)10-17;24-19-13-26-21-11-15(1-2-18(19)21)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-17-5-9-31-10-6-17;1-28-20-5-3-2-4-19(20)26-21(28)15-29-11-7-16(14-22(29)30)18-6-10-24-23(27-18)25-17-8-12-31-13-9-17;29-22-14-18(20-4-9-25-23(27-20)26-19-6-11-30-12-7-19)5-10-28(22)15-16-1-2-17-3-8-24-21(17)13-16;28-21-13-15(17-5-9-23-22(26-17)24-16-7-11-29-12-8-16)6-10-27(21)14-20-25-18-3-1-2-4-19(18)30-20;1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-16(23)15(22)8-14/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);4-14,24H,1-3H3,(H,28,30,31);1-4,7-8,11-13,17,26H,5-6,9-10,14H2,(H,25,27,28);2-7,10-11,14,17H,8-9,12-13,15H2,1H3,(H,24,25,27);1-2,4-5,9-10,13-14,19,24H,3,6-8,11-12,15H2,(H,25,26,27);1-6,9-10,13,16H,7-8,11-12,14H2,(H,23,24,26);2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t;;;;;;19-/m......1/s1
InChIKeyZCHXFHHRFZWUHM-IBSIRIDWSA-N
XLogP25.33
TPSA638.86 Ų
H-Bond Donors11
H-Bond Acceptors53
Rotatable Bonds38
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003134.55
LogP ≤ 525.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1053

Analyze 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 162080828) is 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is Cc1[nH]ncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(F)c(Cl)c3)c(=O)c2)n1.Cc1nn(C)cc1Nc1nccc(-c2ccn(C(c3ccc(Cl)c(F)c3)c3cnn(C)c3)c(=O)c2)n1.Cn1c(Cn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)nc2ccccc21.Cn1cc(C(c2ccc(Cl)c(Cl)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(Cl)c[nH]c2c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(c1)NCC2.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is ZCHXFHHRFZWUHM-IBSIRIDWSA-N. The full InChI is InChI=1S/C25H23Cl2FN6O2.C25H22ClFN8O.C23H22ClN5O2.C23H24N6O2.C23H25N5O2.C22H21N5O3.C21H18ClFN6O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18;1-15-22(14-34(3)32-15)31-25-28-8-6-21(30-25)16-7-9-35(23(36)11-16)24(18-12-29-33(2)13-18)17-4-5-19(26)20(27)10-17;24-19-13-26-21-11-15(1-2-18(19)21)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-17-5-9-31-10-6-17;1-28-20-5-3-2-4-19(20)26-21(28)15-29-11-7-16(14-22(29)30)18-6-10-24-23(27-18)25-17-8-12-31-13-9-17;29-22-14-18(20-4-9-25-23(27-20)26-19-6-11-30-12-7-19)5-10-28(22)15-16-1-2-17-3-8-24-21(17)13-16;28-21-13-15(17-5-9-23-22(26-17)24-16-7-11-29-12-8-16)6-10-27(21)14-20-25-18-3-1-2-4-19(18)30-20;1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-16(23)15(22)8-14/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);4-14,24H,1-3H3,(H,28,30,31);1-4,7-8,11-13,17,26H,5-6,9-10,14H2,(H,25,27,28);2-7,10-11,14,17H,8-9,12-13,15H2,1H3,(H,24,25,27);1-2,4-5,9-10,13-14,19,24H,3,6-8,11-12,15H2,(H,25,26,27);1-6,9-10,13,16H,7-8,11-12,14H2,(H,23,24,26);2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t;;;;;;19-/m......1/s1.
What are the key properties of 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3134.55 g/mol, XLogP of 25.33, 38 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2,3-dihydro-1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 162080828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).