8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane

C113H128F10N32O6S4 — CID 159735005

IUPAC8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
SMILESCNC(=O)CNc1ncc(-c2cc(NC[C@@H](C)c3cccc4c(C(=O)NC)c(F)cnc34)ncn2)cn1.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(CC5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NCC(=O)N(C)C)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(CC5CCN(CC(F)(F)F)CC5)nc4)ncn3)ccc(F)c12.S.S.S.S
InChIInChI=1S/2C31H33F4N7O.C26H28FN9O2.C25H26FN9O2.4H2S/c1-19(23-5-6-25(32)28-24(30(43)36-2)7-10-37-29(23)28)15-39-27-14-26(40-18-41-27)21-3-4-22(38-16-21)13-20-8-11-42(12-9-20)17-31(33,34)35;1-19(23-4-3-5-24-28(30(43)36-2)25(32)16-39-29(23)24)14-38-27-13-26(40-18-41-27)21-6-7-22(37-15-21)12-20-8-10-42(11-9-20)17-31(33,34)35;1-15(17-6-5-7-18-23(25(38)28-2)19(27)12-30-24(17)18)9-29-21-8-20(34-14-35-21)16-10-31-26(32-11-16)33-13-22(37)36(3)4;1-14(16-5-4-6-17-22(24(37)28-3)18(26)11-30-23(16)17)8-29-20-7-19(34-13-35-20)15-9-31-25(32-10-15)33-12-21(36)27-2;;;;/h3-7,10,14,16,18-20H,8-9,11-13,15,17H2,1-2H3,(H,36,43)(H,39,40,41);3-7,13,15-16,18-20H,8-12,14,17H2,1-2H3,(H,36,43)(H,38,40,41);5-8,10-12,14-15H,9,13H2,1-4H3,(H,28,38)(H,29,34,35)(H,31,32,33);4-7,9-11,13-14H,8,12H2,1-3H3,(H,27,36)(H,28,37)(H,29,34,35)(H,31,32,33);4*1H2/t2*19-;15-;14-;;;;/m1111..../s1
InChIKeyNBSKHNYXOPNSLJ-PMVVOSSCSA-N
MW2348.73 g/mol
LogP16.74
Rot. Bonds36

About 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane

8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane (PubChem CID 159735005) has the molecular formula C113H128F10N32O6S4 and a molecular weight of 2348.73 g/mol. Its IUPAC name is 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane.

Molecular Properties

Compound Name8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
PubChem CID159735005
Molecular FormulaC113H128F10N32O6S4
Molecular Weight2348.73 g/mol
Exact Mass2346.94
IUPAC Name8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
SMILESCNC(=O)CNc1ncc(-c2cc(NC[C@@H](C)c3cccc4c(C(=O)NC)c(F)cnc34)ncn2)cn1.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(CC5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NCC(=O)N(C)C)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(CC5CCN(CC(F)(F)F)CC5)nc4)ncn3)ccc(F)c12.S.S.S.S
InChIInChI=1S/2C31H33F4N7O.C26H28FN9O2.C25H26FN9O2.4H2S/c1-19(23-5-6-25(32)28-24(30(43)36-2)7-10-37-29(23)28)15-39-27-14-26(40-18-41-27)21-3-4-22(38-16-21)13-20-8-11-42(12-9-20)17-31(33,34)35;1-19(23-4-3-5-24-28(30(43)36-2)25(32)16-39-29(23)24)14-38-27-13-26(40-18-41-27)21-6-7-22(37-15-21)12-20-8-10-42(11-9-20)17-31(33,34)35;1-15(17-6-5-7-18-23(25(38)28-2)19(27)12-30-24(17)18)9-29-21-8-20(34-14-35-21)16-10-31-26(32-11-16)33-13-22(37)36(3)4;1-14(16-5-4-6-17-22(24(37)28-3)18(26)11-30-23(16)17)8-29-20-7-19(34-13-35-20)15-9-31-25(32-10-15)33-12-21(36)27-2;;;;/h3-7,10,14,16,18-20H,8-9,11-13,15,17H2,1-2H3,(H,36,43)(H,39,40,41);3-7,13,15-16,18-20H,8-12,14,17H2,1-2H3,(H,36,43)(H,38,40,41);5-8,10-12,14-15H,9,13H2,1-4H3,(H,28,38)(H,29,34,35)(H,31,32,33);4-7,9-11,13-14H,8,12H2,1-3H3,(H,27,36)(H,28,37)(H,29,34,35)(H,31,32,33);4*1H2/t2*19-;15-;14-;;;;/m1111..../s1
InChIKeyNBSKHNYXOPNSLJ-PMVVOSSCSA-N
XLogP16.74
TPSA476.49 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.73
LogP ≤ 516.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]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

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-amino-8-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 127025020
2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 127025021
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-fluoro-N-methyl-3-pyridin-2-ylquinoline-4-carboxamide
CID 132597748
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
2-amino-N-(quinolin-8-ylmethyl)-8-(trifluoromethyl)quinazoline-4-carboxamide
CID 122444991

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The IUPAC name of 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane (CID 159735005) is 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane.
What is the SMILES notation for 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The canonical SMILES for 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane is CNC(=O)CNc1ncc(-c2cc(NC[C@@H](C)c3cccc4c(C(=O)NC)c(F)cnc34)ncn2)cn1.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(CC5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NCC(=O)N(C)C)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(CC5CCN(CC(F)(F)F)CC5)nc4)ncn3)ccc(F)c12.S.S.S.S.
What is the InChIKey of 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The InChIKey is NBSKHNYXOPNSLJ-PMVVOSSCSA-N. The full InChI is InChI=1S/2C31H33F4N7O.C26H28FN9O2.C25H26FN9O2.4H2S/c1-19(23-5-6-25(32)28-24(30(43)36-2)7-10-37-29(23)28)15-39-27-14-26(40-18-41-27)21-3-4-22(38-16-21)13-20-8-11-42(12-9-20)17-31(33,34)35;1-19(23-4-3-5-24-28(30(43)36-2)25(32)16-39-29(23)24)14-38-27-13-26(40-18-41-27)21-6-7-22(37-15-21)12-20-8-10-42(11-9-20)17-31(33,34)35;1-15(17-6-5-7-18-23(25(38)28-2)19(27)12-30-24(17)18)9-29-21-8-20(34-14-35-21)16-10-31-26(32-11-16)33-13-22(37)36(3)4;1-14(16-5-4-6-17-22(24(37)28-3)18(26)11-30-23(16)17)8-29-20-7-19(34-13-35-20)15-9-31-25(32-10-15)33-12-21(36)27-2;;;;/h3-7,10,14,16,18-20H,8-9,11-13,15,17H2,1-2H3,(H,36,43)(H,39,40,41);3-7,13,15-16,18-20H,8-12,14,17H2,1-2H3,(H,36,43)(H,38,40,41);5-8,10-12,14-15H,9,13H2,1-4H3,(H,28,38)(H,29,34,35)(H,31,32,33);4-7,9-11,13-14H,8,12H2,1-3H3,(H,27,36)(H,28,37)(H,29,34,35)(H,31,32,33);4*1H2/t2*19-;15-;14-;;;;/m1111..../s1.
What are the key properties of 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane has a molecular weight of 2348.73 g/mol, XLogP of 16.74, 36 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane is sourced from PubChem (CID 159735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).