3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane

C107H117F5N28O8S4 — CID 158299302

IUPAC3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
SMILESC=C(C)N1CCC(Nc2ccc(-c3cc(NC[C@@H](C)c4cccc5c(C(=O)NC)c(F)cnc45)ncn3)cn2)CC1.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(C5(O)COC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(C5(O)COC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCC(F)(F)F)nc4)ncn3)cccc12.S.S.S.S
InChIInChI=1S/C31H35FN8O.C26H25FN6O3.C26H26N6O3.C24H23F3N8O.4H2S/c1-19(2)40-12-10-22(11-13-40)39-27-9-8-21(16-35-27)26-14-28(38-18-37-26)34-15-20(3)23-6-5-7-24-29(31(41)33-4)25(32)17-36-30(23)24;1-15(17-4-3-5-18-23(25(34)28-2)19(27)11-31-24(17)18)9-30-22-8-20(32-14-33-22)16-6-7-21(29-10-16)26(35)12-36-13-26;1-16(18-4-3-5-19-20(25(33)27-2)8-9-28-24(18)19)11-30-23-10-21(31-15-32-23)17-6-7-22(29-12-17)26(34)13-35-14-26;1-14(16-4-3-5-17-18(22(36)28-2)6-7-29-21(16)17)9-30-20-8-19(34-13-35-20)15-10-31-23(32-11-15)33-12-24(25,26)27;;;;/h5-9,14,16-18,20,22H,1,10-13,15H2,2-4H3,(H,33,41)(H,35,39)(H,34,37,38);3-8,10-11,14-15,35H,9,12-13H2,1-2H3,(H,28,34)(H,30,32,33);3-10,12,15-16,34H,11,13-14H2,1-2H3,(H,27,33)(H,30,31,32);3-8,10-11,13-14H,9,12H2,1-2H3,(H,28,36)(H,30,34,35)(H,31,32,33);4*1H2/t20-;15-;16-;14-;;;;/m1111..../s1
InChIKeyGMHOSMKTELLNGN-QWPIIKAVSA-N
MW2146.56 g/mol
LogP15.59
Rot. Bonds31

About 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane

3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane (PubChem CID 158299302) has the molecular formula C107H117F5N28O8S4 and a molecular weight of 2146.56 g/mol. Its IUPAC name is 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane.

Molecular Properties

Compound Name3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
PubChem CID158299302
Molecular FormulaC107H117F5N28O8S4
Molecular Weight2146.56 g/mol
Exact Mass2144.84
IUPAC Name3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
SMILESC=C(C)N1CCC(Nc2ccc(-c3cc(NC[C@@H](C)c4cccc5c(C(=O)NC)c(F)cnc45)ncn3)cn2)CC1.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(C5(O)COC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(C5(O)COC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCC(F)(F)F)nc4)ncn3)cccc12.S.S.S.S
InChIInChI=1S/C31H35FN8O.C26H25FN6O3.C26H26N6O3.C24H23F3N8O.4H2S/c1-19(2)40-12-10-22(11-13-40)39-27-9-8-21(16-35-27)26-14-28(38-18-37-26)34-15-20(3)23-6-5-7-24-29(31(41)33-4)25(32)17-36-30(23)24;1-15(17-4-3-5-18-23(25(34)28-2)19(27)11-31-24(17)18)9-30-22-8-20(32-14-33-22)16-6-7-21(29-10-16)26(35)12-36-13-26;1-16(18-4-3-5-19-20(25(33)27-2)8-9-28-24(18)19)11-30-23-10-21(31-15-32-23)17-6-7-22(29-12-17)26(34)13-35-14-26;1-14(16-4-3-5-17-18(22(36)28-2)6-7-29-21(16)17)9-30-20-8-19(34-13-35-20)15-10-31-23(32-11-15)33-12-24(25,26)27;;;;/h5-9,14,16-18,20,22H,1,10-13,15H2,2-4H3,(H,33,41)(H,35,39)(H,34,37,38);3-8,10-11,14-15,35H,9,12-13H2,1-2H3,(H,28,34)(H,30,32,33);3-10,12,15-16,34H,11,13-14H2,1-2H3,(H,27,33)(H,30,31,32);3-8,10-11,13-14H,9,12H2,1-2H3,(H,28,36)(H,30,34,35)(H,31,32,33);4*1H2/t20-;15-;16-;14-;;;;/m1111..../s1
InChIKeyGMHOSMKTELLNGN-QWPIIKAVSA-N
XLogP15.59
TPSA469.87 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002146.56
LogP ≤ 515.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane 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

8-[(2S)-1-[[6-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 72188305
5-fluoro-8-[(2S)-1-[[6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 72188511
3-fluoro-8-[(2S)-1-[[6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 89865841
3-fluoro-8-[1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 89969460
5-fluoro-8-[(2S)-1-[[6-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982881
3-fluoro-8-[(2S)-1-[[6-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982882
3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 121440545
5-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 121440546
5-fluoro-8-[3-[[[6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-4-methylsulfanylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123320917
3-fluoro-8-[4-[[6-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
CID 123332715
5-fluoro-8-[1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 123375477
3-fluoro-8-[4-[[6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
CID 123692251

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The IUPAC name of 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane (CID 158299302) is 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane.
What is the SMILES notation for 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The canonical SMILES for 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane is C=C(C)N1CCC(Nc2ccc(-c3cc(NC[C@@H](C)c4cccc5c(C(=O)NC)c(F)cnc45)ncn3)cn2)CC1.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(C5(O)COC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(C5(O)COC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCC(F)(F)F)nc4)ncn3)cccc12.S.S.S.S.
What is the InChIKey of 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The InChIKey is GMHOSMKTELLNGN-QWPIIKAVSA-N. The full InChI is InChI=1S/C31H35FN8O.C26H25FN6O3.C26H26N6O3.C24H23F3N8O.4H2S/c1-19(2)40-12-10-22(11-13-40)39-27-9-8-21(16-35-27)26-14-28(38-18-37-26)34-15-20(3)23-6-5-7-24-29(31(41)33-4)25(32)17-36-30(23)24;1-15(17-4-3-5-18-23(25(34)28-2)19(27)11-31-24(17)18)9-30-22-8-20(32-14-33-22)16-6-7-21(29-10-16)26(35)12-36-13-26;1-16(18-4-3-5-19-20(25(33)27-2)8-9-28-24(18)19)11-30-23-10-21(31-15-32-23)17-6-7-22(29-12-17)26(34)13-35-14-26;1-14(16-4-3-5-17-18(22(36)28-2)6-7-29-21(16)17)9-30-20-8-19(34-13-35-20)15-10-31-23(32-11-15)33-12-24(25,26)27;;;;/h5-9,14,16-18,20,22H,1,10-13,15H2,2-4H3,(H,33,41)(H,35,39)(H,34,37,38);3-8,10-11,14-15,35H,9,12-13H2,1-2H3,(H,28,34)(H,30,32,33);3-10,12,15-16,34H,11,13-14H2,1-2H3,(H,27,33)(H,30,31,32);3-8,10-11,13-14H,9,12H2,1-2H3,(H,28,36)(H,30,34,35)(H,31,32,33);4*1H2/t20-;15-;16-;14-;;;;/m1111..../s1.
What are the key properties of 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane has a molecular weight of 2146.56 g/mol, XLogP of 15.59, 31 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane is sourced from PubChem (CID 158299302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).