1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one

C160H153Cl7F3N33O19 — CID 158805641

IUPAC1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESCOC1CC(Nc2nccc(-c3ccn([C@H](CO)c4cccc(Cl)c4)c(=O)c3)n2)C1.COc1cnc(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc([C@@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CC(O)C3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.O=c1cc(-c2ccnc(NC3CC(O)C3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cc(Cl)ccc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C26H23ClFN5O3.C25H23ClF2N6O2.C23H22ClN5O2.C22H20ClN5O3.C22H23ClN4O3.2C21H21ClN4O3/c1-36-24-13-30-21(15-2-3-15)12-22(24)32-26-29-8-6-20(31-26)16-7-9-33(25(35)11-16)23(14-34)17-4-5-18(27)19(28)10-17;1-33-14-17(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;24-17-1-2-20-16(11-17)12-19(26-20)14-29-8-4-15(13-22(29)30)21-3-7-25-23(28-21)27-18-5-9-31-10-6-18;23-15-1-2-19-18(12-15)26-20(31-19)13-28-8-4-14(11-21(28)29)17-3-7-24-22(27-17)25-16-5-9-30-10-6-16;1-30-18-11-17(12-18)25-22-24-7-5-19(26-22)14-6-8-27(21(29)10-14)20(13-28)15-3-2-4-16(23)9-15;2*22-15-3-1-2-14(8-15)19(12-27)26-7-5-13(9-20(26)29)18-4-6-23-21(25-18)24-16-10-17(28)11-16/h4-13,15,23,34H,2-3,14H2,1H3,(H,29,30,31,32);2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,24,25,27);2-10,17-18,20,28H,11-13H2,1H3,(H,24,25,26);2*1-9,16-17,19,27-28H,10-12H2,(H,23,24,25)/t23-;24-;;;17?,18?,20-;2*16?,17?,19-/m11..111/s1
InChIKeyIUASSMZOMYCZQI-QNFYFQEKSA-N
MW3147.36 g/mol
LogP24.80
Rot. Bonds43

About 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one

1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one (PubChem CID 158805641) has the molecular formula C160H153Cl7F3N33O19 and a molecular weight of 3147.36 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one
PubChem CID158805641
Molecular FormulaC160H153Cl7F3N33O19
Molecular Weight3147.36 g/mol
Exact Mass3141.98
IUPAC Name1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESCOC1CC(Nc2nccc(-c3ccn([C@H](CO)c4cccc(Cl)c4)c(=O)c3)n2)C1.COc1cnc(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc([C@@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CC(O)C3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.O=c1cc(-c2ccnc(NC3CC(O)C3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cc(Cl)ccc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C26H23ClFN5O3.C25H23ClF2N6O2.C23H22ClN5O2.C22H20ClN5O3.C22H23ClN4O3.2C21H21ClN4O3/c1-36-24-13-30-21(15-2-3-15)12-22(24)32-26-29-8-6-20(31-26)16-7-9-33(25(35)11-16)23(14-34)17-4-5-18(27)19(28)10-17;1-33-14-17(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;24-17-1-2-20-16(11-17)12-19(26-20)14-29-8-4-15(13-22(29)30)21-3-7-25-23(28-21)27-18-5-9-31-10-6-18;23-15-1-2-19-18(12-15)26-20(31-19)13-28-8-4-14(11-21(28)29)17-3-7-24-22(27-17)25-16-5-9-30-10-6-16;1-30-18-11-17(12-18)25-22-24-7-5-19(26-22)14-6-8-27(21(29)10-14)20(13-28)15-3-2-4-16(23)9-15;2*22-15-3-1-2-14(8-15)19(12-27)26-7-5-13(9-20(26)29)18-4-6-23-21(25-18)24-16-10-17(28)11-16/h4-13,15,23,34H,2-3,14H2,1H3,(H,29,30,31,32);2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,24,25,27);2-10,17-18,20,28H,11-13H2,1H3,(H,24,25,26);2*1-9,16-17,19,27-28H,10-12H2,(H,23,24,25)/t23-;24-;;;17?,18?,20-;2*16?,17?,19-/m11..111/s1
InChIKeyIUASSMZOMYCZQI-QNFYFQEKSA-N
XLogP24.80
TPSA658.73 Ų
H-Bond Donors14
H-Bond Acceptors51
Rotatable Bonds43
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003147.36
LogP ≤ 524.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1051

Analyze 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one (CID 158805641) is 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one is COC1CC(Nc2nccc(-c3ccn([C@H](CO)c4cccc(Cl)c4)c(=O)c3)n2)C1.COc1cnc(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc([C@@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CC(O)C3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.O=c1cc(-c2ccnc(NC3CC(O)C3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cc(Cl)ccc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one?
The InChIKey is IUASSMZOMYCZQI-QNFYFQEKSA-N. The full InChI is InChI=1S/C26H23ClFN5O3.C25H23ClF2N6O2.C23H22ClN5O2.C22H20ClN5O3.C22H23ClN4O3.2C21H21ClN4O3/c1-36-24-13-30-21(15-2-3-15)12-22(24)32-26-29-8-6-20(31-26)16-7-9-33(25(35)11-16)23(14-34)17-4-5-18(27)19(28)10-17;1-33-14-17(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;24-17-1-2-20-16(11-17)12-19(26-20)14-29-8-4-15(13-22(29)30)21-3-7-25-23(28-21)27-18-5-9-31-10-6-18;23-15-1-2-19-18(12-15)26-20(31-19)13-28-8-4-14(11-21(28)29)17-3-7-24-22(27-17)25-16-5-9-30-10-6-16;1-30-18-11-17(12-18)25-22-24-7-5-19(26-22)14-6-8-27(21(29)10-14)20(13-28)15-3-2-4-16(23)9-15;2*22-15-3-1-2-14(8-15)19(12-27)26-7-5-13(9-20(26)29)18-4-6-23-21(25-18)24-16-10-17(28)11-16/h4-13,15,23,34H,2-3,14H2,1H3,(H,29,30,31,32);2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,24,25,27);2-10,17-18,20,28H,11-13H2,1H3,(H,24,25,26);2*1-9,16-17,19,27-28H,10-12H2,(H,23,24,25)/t23-;24-;;;17?,18?,20-;2*16?,17?,19-/m11..111/s1.
What are the key properties of 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one?
1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3147.36 g/mol, XLogP of 24.80, 43 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 158805641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).