1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one

C99H88F9N27O4 — CID 158137434

IUPAC1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cccc(NC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)Cc1cccc(C(F)(F)F)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)c1cccc(C(F)(F)F)c1.O=C(Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H23F3N6O.C25H21F3N6O.C24H20F3N7O.C24H24N8O/c27-26(28,29)19-3-1-2-17(12-19)14-21(36)13-16-4-8-20(9-5-16)31-25-30-11-10-23(33-25)32-24-15-22(34-35-24)18-6-7-18;26-25(27,28)18-3-1-2-17(13-18)21(35)12-15-4-8-19(9-5-15)30-24-29-11-10-22(32-24)31-23-14-20(33-34-23)16-6-7-16;25-24(26,27)16-4-1-3-15(11-16)22(35)29-17-5-2-6-18(12-17)30-23-28-10-9-20(32-23)31-21-13-19(33-34-21)14-7-8-14;1-15-4-2-5-17(12-15)27-24(33)28-19-7-3-6-18(13-19)26-23-25-11-10-21(30-23)29-22-14-20(31-32-22)16-8-9-16/h1-5,8-12,15,18H,6-7,13-14H2,(H3,30,31,32,33,34,35);1-5,8-11,13-14,16H,6-7,12H2,(H3,29,30,31,32,33,34);1-6,9-14H,7-8H2,(H,29,35)(H3,28,30,31,32,33,34);2-7,10-14,16H,8-9H2,1H3,(H2,27,28,33)(H3,25,26,29,30,31,32)
InChIKeyFTNBVFOPPMETHF-UHFFFAOYSA-N
MW1890.96 g/mol
LogP23.30
Rot. Bonds31

About 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 158137434) has the molecular formula C99H88F9N27O4 and a molecular weight of 1890.96 g/mol. Its IUPAC name is 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID158137434
Molecular FormulaC99H88F9N27O4
Molecular Weight1890.96 g/mol
Exact Mass1889.74
IUPAC Name1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cccc(NC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)Cc1cccc(C(F)(F)F)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)c1cccc(C(F)(F)F)c1.O=C(Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H23F3N6O.C25H21F3N6O.C24H20F3N7O.C24H24N8O/c27-26(28,29)19-3-1-2-17(12-19)14-21(36)13-16-4-8-20(9-5-16)31-25-30-11-10-23(33-25)32-24-15-22(34-35-24)18-6-7-18;26-25(27,28)18-3-1-2-17(13-18)21(35)12-15-4-8-19(9-5-15)30-24-29-11-10-22(32-24)31-23-14-20(33-34-23)16-6-7-16;25-24(26,27)16-4-1-3-15(11-16)22(35)29-17-5-2-6-18(12-17)30-23-28-10-9-20(32-23)31-21-13-19(33-34-21)14-7-8-14;1-15-4-2-5-17(12-15)27-24(33)28-19-7-3-6-18(13-19)26-23-25-11-10-21(30-23)29-22-14-20(31-32-22)16-8-9-16/h1-5,8-12,15,18H,6-7,13-14H2,(H3,30,31,32,33,34,35);1-5,8-11,13-14,16H,6-7,12H2,(H3,29,30,31,32,33,34);1-6,9-14H,7-8H2,(H,29,35)(H3,28,30,31,32,33,34);2-7,10-14,16H,8-9H2,1H3,(H2,27,28,33)(H3,25,26,29,30,31,32)
InChIKeyFTNBVFOPPMETHF-UHFFFAOYSA-N
XLogP23.30
TPSA418.45 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.96
LogP ≤ 523.30
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Analyze 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

N-[3-[1-[2-[[2-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]cyclopropyl]-7-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 123488414
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]-3-[[2-[4-[2-[2-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]-3-[[3-(dimethylamino)propylamino]methyl]pyrazol-5-yl]amino]-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]piperazin-1-yl]ethylamino]methyl]pyrazol-5-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 143654186
N-[3-[[2-(6-aminopyrimidin-4-yl)-5-[2-[4-[[3-(1,1-difluoroethyl)benzoyl]amino]-2-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]ethyl]pyrazol-3-yl]amino]-4-methylphenyl]-3-(1,1-difluoroethyl)benzamide
CID 143654187
2-[1-[4-[[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazole-3-carbonyl]amino]pyridin-2-yl]-4,4-difluoropyrrolidin-3-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)pyridin-4-yl]-5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,1a-dihydrocyclopropa[b]quinoline-7-carboxamide
CID 144929082
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[5-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-3-yl]-1,2-dihydroindazol-3-one;5-[5-[(5-methyl-1H-pyrazol-3-yl)amino]pyridazin-3-yl]-1,2-dihydroindazol-3-one
CID 157078504
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
1-[1-ethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]urea;1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 157309265
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157356698
5-[3,3-dimethyl-1-(1-methylpyrazol-3-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 157505413
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(2-phenylethyl)benzamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 157510763
N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157817601
1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-(2-fluoropropan-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 157972714

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 158137434) is 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one is Cc1cccc(NC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)Cc1cccc(C(F)(F)F)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)c1cccc(C(F)(F)F)c1.O=C(Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is FTNBVFOPPMETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O.C25H21F3N6O.C24H20F3N7O.C24H24N8O/c27-26(28,29)19-3-1-2-17(12-19)14-21(36)13-16-4-8-20(9-5-16)31-25-30-11-10-23(33-25)32-24-15-22(34-35-24)18-6-7-18;26-25(27,28)18-3-1-2-17(13-18)21(35)12-15-4-8-19(9-5-15)30-24-29-11-10-22(32-24)31-23-14-20(33-34-23)16-6-7-16;25-24(26,27)16-4-1-3-15(11-16)22(35)29-17-5-2-6-18(12-17)30-23-28-10-9-20(32-23)31-21-13-19(33-34-21)14-7-8-14;1-15-4-2-5-17(12-15)27-24(33)28-19-7-3-6-18(13-19)26-23-25-11-10-21(30-23)29-22-14-20(31-32-22)16-8-9-16/h1-5,8-12,15,18H,6-7,13-14H2,(H3,30,31,32,33,34,35);1-5,8-11,13-14,16H,6-7,12H2,(H3,29,30,31,32,33,34);1-6,9-14H,7-8H2,(H,29,35)(H3,28,30,31,32,33,34);2-7,10-14,16H,8-9H2,1H3,(H2,27,28,33)(H3,25,26,29,30,31,32).
What are the key properties of 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 1890.96 g/mol, XLogP of 23.30, 31 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 158137434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).