4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol

C157H238F6N42O6 — CID 162094144

IUPAC4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCC1CC1Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.CCC[C@H](C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.C[C@@H](CC1CC1)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C27H41N7O.2C26H38F3N7O.C26H39N7O.2C26H41N7O/c1-19(15-20-3-4-20)30-27-29-17-24(26(32-27)31-22-6-8-23(35)9-7-22)25-10-5-21(16-28-25)18-34-13-11-33(2)12-14-34;2*1-3-4-23(26(27,28)29)33-25-31-16-21(24(34-25)32-19-6-8-20(37)9-7-19)22-10-5-18(15-30-22)17-36-13-11-35(2)12-14-36;1-3-19-14-24(19)30-26-28-16-22(25(31-26)29-20-5-7-21(34)8-6-20)23-9-4-18(15-27-23)17-33-12-10-32(2)11-13-33;2*1-4-5-19(2)29-26-28-17-23(25(31-26)30-21-7-9-22(34)10-8-21)24-11-6-20(16-27-24)18-33-14-12-32(3)13-15-33/h5,10,16-17,19-20,22-23,35H,3-4,6-9,11-15,18H2,1-2H3,(H2,29,30,31,32);2*5,10,15-16,19-20,23,37H,3-4,6-9,11-14,17H2,1-2H3,(H2,31,32,33,34);4,9,15-16,19-21,24,34H,3,5-8,10-14,17H2,1-2H3,(H2,28,29,30,31);2*6,11,16-17,19,21-22,34H,4-5,7-10,12-15,18H2,1-3H3,(H2,28,29,30,31)/t19-,22?,23?;2*19?,20?,23-;;2*19-,21?,22?/m010.10/s1
InChIKeyZEAASWPAUCJXRZ-FWASTEQXSA-N
MW2923.91 g/mol
LogP22.31
Rot. Bonds53

About 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 162094144) has the molecular formula C157H238F6N42O6 and a molecular weight of 2923.91 g/mol. Its IUPAC name is 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID162094144
Molecular FormulaC157H238F6N42O6
Molecular Weight2923.91 g/mol
Exact Mass2921.95
IUPAC Name4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCC1CC1Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.CCC[C@H](C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.C[C@@H](CC1CC1)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C27H41N7O.2C26H38F3N7O.C26H39N7O.2C26H41N7O/c1-19(15-20-3-4-20)30-27-29-17-24(26(32-27)31-22-6-8-23(35)9-7-22)25-10-5-21(16-28-25)18-34-13-11-33(2)12-14-34;2*1-3-4-23(26(27,28)29)33-25-31-16-21(24(34-25)32-19-6-8-20(37)9-7-19)22-10-5-18(15-30-22)17-36-13-11-35(2)12-14-36;1-3-19-14-24(19)30-26-28-16-22(25(31-26)29-20-5-7-21(34)8-6-20)23-9-4-18(15-27-23)17-33-12-10-32(2)11-13-33;2*1-4-5-19(2)29-26-28-17-23(25(31-26)30-21-7-9-22(34)10-8-21)24-11-6-20(16-27-24)18-33-14-12-32(3)13-15-33/h5,10,16-17,19-20,22-23,35H,3-4,6-9,11-15,18H2,1-2H3,(H2,29,30,31,32);2*5,10,15-16,19-20,23,37H,3-4,6-9,11-14,17H2,1-2H3,(H2,31,32,33,34);4,9,15-16,19-21,24,34H,3,5-8,10-14,17H2,1-2H3,(H2,28,29,30,31);2*6,11,16-17,19,21-22,34H,4-5,7-10,12-15,18H2,1-3H3,(H2,28,29,30,31)/t19-,22?,23?;2*19?,20?,23-;;2*19-,21?,22?/m010.10/s1
InChIKeyZEAASWPAUCJXRZ-FWASTEQXSA-N
XLogP22.31
TPSA536.64 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds53
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.91
LogP ≤ 522.31
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Analyze 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol 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

4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
4-[[2-(Butylamino)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-2-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792562
4-[[2-(Butylamino)-5-[5-[(pyridin-4-ylmethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 91971963
4-[[2-(Butylamino)-5-[5-(piperidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 117849635
4-[[2-(Butylamino)-5-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 117849637
4-[[2-(Butylamino)-5-[5-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 117849638
4-[[2-(Butylamino)-5-[5-[2-(4-methylpiperazin-1-yl)ethyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 117849647
4-[[2-(butylamino)-5-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439796
4-[[5-[5-[(4-Methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[(1-propylcyclopropyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439797
4-[[2-(Butylamino)-5-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439828
4-[[2-(butylamino)-5-[5-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439830
4-[[2-(butylamino)-5-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439852

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 162094144) is 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol is CCC1CC1Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.CCC[C@H](C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.C[C@@H](CC1CC1)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is ZEAASWPAUCJXRZ-FWASTEQXSA-N. The full InChI is InChI=1S/C27H41N7O.2C26H38F3N7O.C26H39N7O.2C26H41N7O/c1-19(15-20-3-4-20)30-27-29-17-24(26(32-27)31-22-6-8-23(35)9-7-22)25-10-5-21(16-28-25)18-34-13-11-33(2)12-14-34;2*1-3-4-23(26(27,28)29)33-25-31-16-21(24(34-25)32-19-6-8-20(37)9-7-19)22-10-5-18(15-30-22)17-36-13-11-35(2)12-14-36;1-3-19-14-24(19)30-26-28-16-22(25(31-26)29-20-5-7-21(34)8-6-20)23-9-4-18(15-27-23)17-33-12-10-32(2)11-13-33;2*1-4-5-19(2)29-26-28-17-23(25(31-26)30-21-7-9-22(34)10-8-21)24-11-6-20(16-27-24)18-33-14-12-32(3)13-15-33/h5,10,16-17,19-20,22-23,35H,3-4,6-9,11-15,18H2,1-2H3,(H2,29,30,31,32);2*5,10,15-16,19-20,23,37H,3-4,6-9,11-14,17H2,1-2H3,(H2,31,32,33,34);4,9,15-16,19-21,24,34H,3,5-8,10-14,17H2,1-2H3,(H2,28,29,30,31);2*6,11,16-17,19,21-22,34H,4-5,7-10,12-15,18H2,1-3H3,(H2,28,29,30,31)/t19-,22?,23?;2*19?,20?,23-;;2*19-,21?,22?/m010.10/s1.
What are the key properties of 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2923.91 g/mol, XLogP of 22.31, 53 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(2-ethylcyclopropyl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2-[[(2S)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 162094144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).