1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea

C130H192F5N41O12S — CID 163532238

IUPAC1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
SMILESCOCCOC1CCC(NC(=O)NC2CCC(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)CC2)CC1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)NC1CCC(N2CCOC2=O)CC1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)NC1CS(=O)(=O)C1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)N[C@@H]1CCC[C@@H](OC(F)F)C1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C28H41N9O3.C28H44N8O3.C26H37F3N8O.C26H38F2N8O2.C22H32N8O3S/c38-27(32-21-9-11-22(12-10-21)37-15-16-40-28(37)39)31-20-7-5-19(6-8-20)30-26-29-14-13-24(34-26)33-25-17-23(35-36-25)18-3-1-2-4-18;1-38-16-17-39-23-12-10-22(11-13-23)32-28(37)31-21-8-6-20(7-9-21)30-27-29-15-14-25(34-27)33-26-18-24(35-36-26)19-4-2-3-5-19;27-26(28,29)17-6-3-7-20(14-17)33-25(38)32-19-10-8-18(9-11-19)31-24-30-13-12-22(35-24)34-23-15-21(36-37-23)16-4-1-2-5-16;27-24(28)38-20-7-3-6-19(14-20)32-26(37)31-18-10-8-17(9-11-18)30-25-29-13-12-22(34-25)33-23-15-21(35-36-23)16-4-1-2-5-16;31-22(26-17-12-34(32,33)13-17)25-16-7-5-15(6-8-16)24-21-23-10-9-19(28-21)27-20-11-18(29-30-20)14-3-1-2-4-14/h13-14,17-22H,1-12,15-16H2,(H2,31,32,38)(H3,29,30,33,34,35,36);14-15,18-23H,2-13,16-17H2,1H3,(H2,31,32,37)(H3,29,30,33,34,35,36);12-13,15-20H,1-11,14H2,(H2,32,33,38)(H3,30,31,34,35,36,37);12-13,15-20,24H,1-11,14H2,(H2,31,32,37)(H3,29,30,33,34,35,36);9-11,14-17H,1-8,12-13H2,(H2,25,26,31)(H3,23,24,27,28,29,30)/t;;17-,18?,19?,20+;17?,18?,19-,20-;/m..01./s1
InChIKeyDTYLHJJVNMWVSR-CQTIGONZSA-N
MW2648.30 g/mol
LogP22.32
Rot. Bonds42

About 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea

1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 163532238) has the molecular formula C130H192F5N41O12S and a molecular weight of 2648.30 g/mol. Its IUPAC name is 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID163532238
Molecular FormulaC130H192F5N41O12S
Molecular Weight2648.30 g/mol
Exact Mass2646.53
IUPAC Name1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
SMILESCOCCOC1CCC(NC(=O)NC2CCC(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)CC2)CC1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)NC1CCC(N2CCOC2=O)CC1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)NC1CS(=O)(=O)C1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)N[C@@H]1CCC[C@@H](OC(F)F)C1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C28H41N9O3.C28H44N8O3.C26H37F3N8O.C26H38F2N8O2.C22H32N8O3S/c38-27(32-21-9-11-22(12-10-21)37-15-16-40-28(37)39)31-20-7-5-19(6-8-20)30-26-29-14-13-24(34-26)33-25-17-23(35-36-25)18-3-1-2-4-18;1-38-16-17-39-23-12-10-22(11-13-23)32-28(37)31-21-8-6-20(7-9-21)30-27-29-15-14-25(34-27)33-26-18-24(35-36-26)19-4-2-3-5-19;27-26(28,29)17-6-3-7-20(14-17)33-25(38)32-19-10-8-18(9-11-19)31-24-30-13-12-22(35-24)34-23-15-21(36-37-23)16-4-1-2-5-16;27-24(28)38-20-7-3-6-19(14-20)32-26(37)31-18-10-8-17(9-11-18)30-25-29-13-12-22(34-25)33-23-15-21(35-36-23)16-4-1-2-5-16;31-22(26-17-12-34(32,33)13-17)25-16-7-5-15(6-8-16)24-21-23-10-9-19(28-21)27-20-11-18(29-30-20)14-3-1-2-4-14/h13-14,17-22H,1-12,15-16H2,(H2,31,32,38)(H3,29,30,33,34,35,36);14-15,18-23H,2-13,16-17H2,1H3,(H2,31,32,37)(H3,29,30,33,34,35,36);12-13,15-20H,1-11,14H2,(H2,32,33,38)(H3,30,31,34,35,36,37);12-13,15-20,24H,1-11,14H2,(H2,31,32,37)(H3,29,30,33,34,35,36);9-11,14-17H,1-8,12-13H2,(H2,25,26,31)(H3,23,24,27,28,29,30)/t;;17-,18?,19?,20+;17?,18?,19-,20-;/m..01./s1
InChIKeyDTYLHJJVNMWVSR-CQTIGONZSA-N
XLogP22.32
TPSA689.62 Ų
H-Bond Donors25
H-Bond Acceptors37
Rotatable Bonds42
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002648.30
LogP ≤ 522.32
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea 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

1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(2-methoxyethyl)urea
CID 162490781
1-[4-[(Z)-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]iminomethyl]cyclohexyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)cyclopentyl]urea
CID 154687268
[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175176525
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
1-[4-[[4-[[5-(oxolan-3-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propan-2-one
CID 163715457
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1-cyclopropylpiperidin-4-yl)propan-2-one
CID 163628097
phenyl N-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 154687395
1-[4-[[4-[[5-(oxolan-3-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(3-phenylcyclobutyl)urea
CID 162490726
1-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propan-2-one
CID 163657998
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(4-methyloxan-4-yl)propan-2-one
CID 163732027
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1-methylcyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 166866982
1-[4-[[4-[[5-(oxolan-3-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 162490731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea (CID 163532238) is 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea is COCCOC1CCC(NC(=O)NC2CCC(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)CC2)CC1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)NC1CCC(N2CCOC2=O)CC1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)NC1CS(=O)(=O)C1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)N[C@@H]1CCC[C@@H](OC(F)F)C1.O=C(NC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is DTYLHJJVNMWVSR-CQTIGONZSA-N. The full InChI is InChI=1S/C28H41N9O3.C28H44N8O3.C26H37F3N8O.C26H38F2N8O2.C22H32N8O3S/c38-27(32-21-9-11-22(12-10-21)37-15-16-40-28(37)39)31-20-7-5-19(6-8-20)30-26-29-14-13-24(34-26)33-25-17-23(35-36-25)18-3-1-2-4-18;1-38-16-17-39-23-12-10-22(11-13-23)32-28(37)31-21-8-6-20(7-9-21)30-27-29-15-14-25(34-27)33-26-18-24(35-36-26)19-4-2-3-5-19;27-26(28,29)17-6-3-7-20(14-17)33-25(38)32-19-10-8-18(9-11-19)31-24-30-13-12-22(35-24)34-23-15-21(36-37-23)16-4-1-2-5-16;27-24(28)38-20-7-3-6-19(14-20)32-26(37)31-18-10-8-17(9-11-18)30-25-29-13-12-22(34-25)33-23-15-21(35-36-23)16-4-1-2-5-16;31-22(26-17-12-34(32,33)13-17)25-16-7-5-15(6-8-16)24-21-23-10-9-19(28-21)27-20-11-18(29-30-20)14-3-1-2-4-14/h13-14,17-22H,1-12,15-16H2,(H2,31,32,38)(H3,29,30,33,34,35,36);14-15,18-23H,2-13,16-17H2,1H3,(H2,31,32,37)(H3,29,30,33,34,35,36);12-13,15-20H,1-11,14H2,(H2,32,33,38)(H3,30,31,34,35,36,37);12-13,15-20,24H,1-11,14H2,(H2,31,32,37)(H3,29,30,33,34,35,36);9-11,14-17H,1-8,12-13H2,(H2,25,26,31)(H3,23,24,27,28,29,30)/t;;17-,18?,19?,20+;17?,18?,19-,20-;/m..01./s1.
What are the key properties of 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea?
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 2648.30 g/mol, XLogP of 22.32, 42 rotatable bonds, 25 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3R)-3-(difluoromethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1,1-dioxothietan-3-yl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-methoxyethoxy)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 163532238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).