1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea

C127H167F15N44O2 — CID 163742895

IUPAC1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC/N=C(/Nc1cccc(C(F)(F)F)c1)NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.Cc1cc(Nc2ccnc(NC3CCC(N/C(=N/CC(F)(F)F)NC4CCCCC4)CC3)n2)n[nH]1.FC(F)(F)C/N=C(\NC1CCOCC1)NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.N/C(=N\C1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@@H](Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
InChIInChI=1S/C27H34F3N9.C26H38F3N9O.C26H32F3N9.C25H29F3N8O.C23H34F3N9/c1-31-25(35-21-8-4-7-18(15-21)27(28,29)30)33-19-9-11-20(12-10-19)34-26-32-14-13-23(37-26)36-24-16-22(38-39-24)17-5-2-3-6-17;27-26(28,29)16-31-25(34-20-10-13-39-14-11-20)33-19-7-5-18(6-8-19)32-24-30-12-9-22(36-24)35-23-15-21(37-38-23)17-3-1-2-4-17;27-26(28,29)17-6-3-7-20(14-17)33-24(30)32-18-8-10-19(11-9-18)34-25-31-13-12-22(36-25)35-23-15-21(37-38-23)16-4-1-2-5-16;26-25(27,28)16-6-3-7-17(12-16)31-24(37)32-19-9-8-18(13-19)30-23-29-11-10-21(34-23)33-22-14-20(35-36-22)15-4-1-2-5-15;1-15-13-20(35-34-15)32-19-11-12-27-21(33-19)30-17-7-9-18(10-8-17)31-22(28-14-23(24,25)26)29-16-5-3-2-4-6-16/h4,7-8,13-17,19-20H,2-3,5-6,9-12H2,1H3,(H2,31,33,35)(H3,32,34,36,37,38,39);9,12,15,17-20H,1-8,10-11,13-14,16H2,(H2,31,33,34)(H3,30,32,35,36,37,38);3,6-7,12-16,18-19H,1-2,4-5,8-11H2,(H3,30,32,33)(H3,31,34,35,36,37,38);3,6-7,10-12,14-15,18-19H,1-2,4-5,8-9,13H2,(H2,31,32,37)(H3,29,30,33,34,35,36);11-13,16-18H,2-10,14H2,1H3,(H2,28,29,31)(H3,27,30,32,33,34,35)/t;;;18-,19-;/m...1./s1
InChIKeyLJICXKGDTMUQKT-WKMYBMPHSA-N
MW2627.01 g/mol
LogP26.58
Rot. Bonds36

About 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea

1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 163742895) has the molecular formula C127H167F15N44O2 and a molecular weight of 2627.01 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID163742895
Molecular FormulaC127H167F15N44O2
Molecular Weight2627.01 g/mol
Exact Mass2625.41
IUPAC Name1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC/N=C(/Nc1cccc(C(F)(F)F)c1)NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.Cc1cc(Nc2ccnc(NC3CCC(N/C(=N/CC(F)(F)F)NC4CCCCC4)CC3)n2)n[nH]1.FC(F)(F)C/N=C(\NC1CCOCC1)NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.N/C(=N\C1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@@H](Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
InChIInChI=1S/C27H34F3N9.C26H38F3N9O.C26H32F3N9.C25H29F3N8O.C23H34F3N9/c1-31-25(35-21-8-4-7-18(15-21)27(28,29)30)33-19-9-11-20(12-10-19)34-26-32-14-13-23(37-26)36-24-16-22(38-39-24)17-5-2-3-6-17;27-26(28,29)16-31-25(34-20-10-13-39-14-11-20)33-19-7-5-18(6-8-19)32-24-30-12-9-22(36-24)35-23-15-21(37-38-23)17-3-1-2-4-17;27-26(28,29)17-6-3-7-20(14-17)33-24(30)32-18-8-10-19(11-9-18)34-25-31-13-12-22(36-25)35-23-15-21(37-38-23)16-4-1-2-5-16;26-25(27,28)16-6-3-7-17(12-16)31-24(37)32-19-9-8-18(13-19)30-23-29-11-10-21(34-23)33-22-14-20(35-36-22)15-4-1-2-5-15;1-15-13-20(35-34-15)32-19-11-12-27-21(33-19)30-17-7-9-18(10-8-17)31-22(28-14-23(24,25)26)29-16-5-3-2-4-6-16/h4,7-8,13-17,19-20H,2-3,5-6,9-12H2,1H3,(H2,31,33,35)(H3,32,34,36,37,38,39);9,12,15,17-20H,1-8,10-11,13-14,16H2,(H2,31,33,34)(H3,30,32,35,36,37,38);3,6-7,12-16,18-19H,1-2,4-5,8-11H2,(H3,30,32,33)(H3,31,34,35,36,37,38);3,6-7,10-12,14-15,18-19H,1-2,4-5,8-9,13H2,(H2,31,32,37)(H3,29,30,33,34,35,36);11-13,16-18H,2-10,14H2,1H3,(H2,28,29,31)(H3,27,30,32,33,34,35)/t;;;18-,19-;/m...1./s1
InChIKeyLJICXKGDTMUQKT-WKMYBMPHSA-N
XLogP26.58
TPSA602.63 Ų
H-Bond Donors25
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002627.01
LogP ≤ 526.58
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 163742895) is 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea is C/N=C(/Nc1cccc(C(F)(F)F)c1)NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.Cc1cc(Nc2ccnc(NC3CCC(N/C(=N/CC(F)(F)F)NC4CCCCC4)CC3)n2)n[nH]1.FC(F)(F)C/N=C(\NC1CCOCC1)NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.N/C(=N\C1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@@H](Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1.
What is the InChIKey of 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is LJICXKGDTMUQKT-WKMYBMPHSA-N. The full InChI is InChI=1S/C27H34F3N9.C26H38F3N9O.C26H32F3N9.C25H29F3N8O.C23H34F3N9/c1-31-25(35-21-8-4-7-18(15-21)27(28,29)30)33-19-9-11-20(12-10-19)34-26-32-14-13-23(37-26)36-24-16-22(38-39-24)17-5-2-3-6-17;27-26(28,29)16-31-25(34-20-10-13-39-14-11-20)33-19-7-5-18(6-8-19)32-24-30-12-9-22(36-24)35-23-15-21(37-38-23)17-3-1-2-4-17;27-26(28,29)17-6-3-7-20(14-17)33-24(30)32-18-8-10-19(11-9-18)34-25-31-13-12-22(36-25)35-23-15-21(37-38-23)16-4-1-2-5-16;26-25(27,28)16-6-3-7-17(12-16)31-24(37)32-19-9-8-18(13-19)30-23-29-11-10-21(34-23)33-22-14-20(35-36-22)15-4-1-2-5-15;1-15-13-20(35-34-15)32-19-11-12-27-21(33-19)30-17-7-9-18(10-8-17)31-22(28-14-23(24,25)26)29-16-5-3-2-4-6-16/h4,7-8,13-17,19-20H,2-3,5-6,9-12H2,1H3,(H2,31,33,35)(H3,32,34,36,37,38,39);9,12,15,17-20H,1-8,10-11,13-14,16H2,(H2,31,33,34)(H3,30,32,35,36,37,38);3,6-7,12-16,18-19H,1-2,4-5,8-11H2,(H3,30,32,33)(H3,31,34,35,36,37,38);3,6-7,10-12,14-15,18-19H,1-2,4-5,8-9,13H2,(H2,31,32,37)(H3,29,30,33,34,35,36);11-13,16-18H,2-10,14H2,1H3,(H2,28,29,31)(H3,27,30,32,33,34,35)/t;;;18-,19-;/m...1./s1.
What are the key properties of 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 2627.01 g/mol, XLogP of 26.58, 36 rotatable bonds, 25 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]guanidine;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)guanidine;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]guanidine;1-[(1R,3R)-3-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 163742895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).