8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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

C111H128F7N35O5S4 — CID 158824408

IUPAC8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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(Nc2ncc(-c3cc(NC[C@@H](C)c4ccc(F)c5c(C(=O)NC)ccnc45)ncn3)cn2)CC1.C=C(CC)N1CCC(Nc2ncc(-c3cc(NC[C@@H](C)c4ccc(F)c5c(C(=O)NC)ccnc45)ncn3)cn2)CC1.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCC(F)(F)F)nc4)ncn3)ccc(F)c12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCCNC(C)=O)nc4)ncn3)ccc(F)c12.S.S.S.S
InChIInChI=1S/C31H36FN9O.C30H34FN9O.C26H28FN9O2.C24H22F4N8O.4H2S/c1-5-20(3)41-12-9-22(10-13-41)40-31-36-16-21(17-37-31)26-14-27(39-18-38-26)35-15-19(2)23-6-7-25(32)28-24(30(42)33-4)8-11-34-29(23)28;1-18(2)40-11-8-21(9-12-40)39-30-35-15-20(16-36-30)25-13-26(38-17-37-25)34-14-19(3)22-5-6-24(31)27-23(29(41)32-4)7-10-33-28(22)27;1-15(18-4-5-20(27)23-19(25(38)28-3)6-7-30-24(18)23)11-32-22-10-21(35-14-36-22)17-12-33-26(34-13-17)31-9-8-29-16(2)37;1-13(15-3-4-17(25)20-16(22(37)29-2)5-6-30-21(15)20)8-31-19-7-18(35-12-36-19)14-9-32-23(33-10-14)34-11-24(26,27)28;;;;/h6-8,11,14,16-19,22H,3,5,9-10,12-13,15H2,1-2,4H3,(H,33,42)(H,35,38,39)(H,36,37,40);5-7,10,13,15-17,19,21H,1,8-9,11-12,14H2,2-4H3,(H,32,41)(H,34,37,38)(H,35,36,39);4-7,10,12-15H,8-9,11H2,1-3H3,(H,28,38)(H,29,37)(H,31,33,34)(H,32,35,36);3-7,9-10,12-13H,8,11H2,1-2H3,(H,29,37)(H,31,35,36)(H,32,33,34);4*1H2/t2*19-;15-;13-;;;;/m1111..../s1
InChIKeyIWGVWIFQMZOJQS-BKLBGMANSA-N
MW2293.74 g/mol
LogP16.97
Rot. Bonds37

About 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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

8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 158824408) has the molecular formula C111H128F7N35O5S4 and a molecular weight of 2293.74 g/mol. Its IUPAC name is 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 Name8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 CID158824408
Molecular FormulaC111H128F7N35O5S4
Molecular Weight2293.74 g/mol
Exact Mass2291.96
IUPAC Name8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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(Nc2ncc(-c3cc(NC[C@@H](C)c4ccc(F)c5c(C(=O)NC)ccnc45)ncn3)cn2)CC1.C=C(CC)N1CCC(Nc2ncc(-c3cc(NC[C@@H](C)c4ccc(F)c5c(C(=O)NC)ccnc45)ncn3)cn2)CC1.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCC(F)(F)F)nc4)ncn3)ccc(F)c12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCCNC(C)=O)nc4)ncn3)ccc(F)c12.S.S.S.S
InChIInChI=1S/C31H36FN9O.C30H34FN9O.C26H28FN9O2.C24H22F4N8O.4H2S/c1-5-20(3)41-12-9-22(10-13-41)40-31-36-16-21(17-37-31)26-14-27(39-18-38-26)35-15-19(2)23-6-7-25(32)28-24(30(42)33-4)8-11-34-29(23)28;1-18(2)40-11-8-21(9-12-40)39-30-35-15-20(16-36-30)25-13-26(38-17-37-25)34-14-19(3)22-5-6-24(31)27-23(29(41)32-4)7-10-33-28(22)27;1-15(18-4-5-20(27)23-19(25(38)28-3)6-7-30-24(18)23)11-32-22-10-21(35-14-36-22)17-12-33-26(34-13-17)31-9-8-29-16(2)37;1-13(15-3-4-17(25)20-16(22(37)29-2)5-6-30-21(15)20)8-31-19-7-18(35-12-36-19)14-9-32-23(33-10-14)34-11-24(26,27)28;;;;/h6-8,11,14,16-19,22H,3,5,9-10,12-13,15H2,1-2,4H3,(H,33,42)(H,35,38,39)(H,36,37,40);5-7,10,13,15-17,19,21H,1,8-9,11-12,14H2,2-4H3,(H,32,41)(H,34,37,38)(H,35,36,39);4-7,10,12-15H,8-9,11H2,1-3H3,(H,28,38)(H,29,37)(H,31,33,34)(H,32,35,36);3-7,9-10,12-13H,8,11H2,1-2H3,(H,29,37)(H,31,35,36)(H,32,33,34);4*1H2/t2*19-;15-;13-;;;;/m1111..../s1
InChIKeyIWGVWIFQMZOJQS-BKLBGMANSA-N
XLogP16.97
TPSA506.02 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002293.74
LogP ≤ 516.97
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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

N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
4-Azanyl-6-[[(1~{s})-1-(6-Fluoranyl-3-Phenyl-4-Piperazin-1-Ylcarbonyl-Quinolin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 49872646
VX-984
CID 72188357
N-[3-[7-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 137348835
(S)-2-(1-(6-amino-5-cyanopyrimidin-4-ylamino)ethyl)-6-fluoro-N-methyl-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634686
(s)-2-(1-(6-Amino-5-cyanopyrimidin-4-ylamino)ethyl)-n-ethyl-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634709
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-fluoro-N-methyl-3-pyridin-2-ylquinoline-4-carboxamide
CID 132597748
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(2-(piperidin-1-yl)ethylamino)quinazolin-6-yl)benzamide
CID 16086076
4-Amino-6-[1-[6-fluoro-4-(piperazine-1-carbonyl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49873242
[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-[3-(quinazolin-4-ylamino)phenyl]methanone
CID 53249003
4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444937

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 158824408) is 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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(Nc2ncc(-c3cc(NC[C@@H](C)c4ccc(F)c5c(C(=O)NC)ccnc45)ncn3)cn2)CC1.C=C(CC)N1CCC(Nc2ncc(-c3cc(NC[C@@H](C)c4ccc(F)c5c(C(=O)NC)ccnc45)ncn3)cn2)CC1.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCC(F)(F)F)nc4)ncn3)ccc(F)c12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NCCNC(C)=O)nc4)ncn3)ccc(F)c12.S.S.S.S.
What is the InChIKey of 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 IWGVWIFQMZOJQS-BKLBGMANSA-N. The full InChI is InChI=1S/C31H36FN9O.C30H34FN9O.C26H28FN9O2.C24H22F4N8O.4H2S/c1-5-20(3)41-12-9-22(10-13-41)40-31-36-16-21(17-37-31)26-14-27(39-18-38-26)35-15-19(2)23-6-7-25(32)28-24(30(42)33-4)8-11-34-29(23)28;1-18(2)40-11-8-21(9-12-40)39-30-35-15-20(16-36-30)25-13-26(38-17-37-25)34-14-19(3)22-5-6-24(31)27-23(29(41)32-4)7-10-33-28(22)27;1-15(18-4-5-20(27)23-19(25(38)28-3)6-7-30-24(18)23)11-32-22-10-21(35-14-36-22)17-12-33-26(34-13-17)31-9-8-29-16(2)37;1-13(15-3-4-17(25)20-16(22(37)29-2)5-6-30-21(15)20)8-31-19-7-18(35-12-36-19)14-9-32-23(33-10-14)34-11-24(26,27)28;;;;/h6-8,11,14,16-19,22H,3,5,9-10,12-13,15H2,1-2,4H3,(H,33,42)(H,35,38,39)(H,36,37,40);5-7,10,13,15-17,19,21H,1,8-9,11-12,14H2,2-4H3,(H,32,41)(H,34,37,38)(H,35,36,39);4-7,10,12-15H,8-9,11H2,1-3H3,(H,28,38)(H,29,37)(H,31,33,34)(H,32,35,36);3-7,9-10,12-13H,8,11H2,1-2H3,(H,29,37)(H,31,35,36)(H,32,33,34);4*1H2/t2*19-;15-;13-;;;;/m1111..../s1.
What are the key properties of 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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?
8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 2293.74 g/mol, XLogP of 16.97, 37 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-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 158824408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).