bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide

C160H190N50O12 — CID 158795485

IUPACbis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2cc(C)cc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(C)cn3)cn2)CC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C)(C(=O)C[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C)(C(=O)C[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1
InChIInChI=1S/2C28H33N7O2.C27H32N8O2.2C26H31N9O2.C25H30N10O2/c2*1-17-8-22(31-24(9-17)32-25-11-20(4)33-34-25)28(37)15-27(5,16-28)23(36)10-19(3)21-6-7-26(29-13-21)35-14-18(2)12-30-35;1-16-8-22(31-23(9-16)32-24-10-18(3)33-34-24)21-11-27(12-21,37-5)26(36)30-19(4)20-6-7-25(28-14-20)35-15-17(2)13-29-35;1-15-12-28-35(14-15)23-7-6-19(13-27-23)18(4)30-25(36)26(37-5)10-20(11-26)24-29-16(2)8-21(32-24)31-22-9-17(3)33-34-22;1-15-12-28-35(14-15)23-7-6-19(13-27-23)18(4)30-24(36)26(37-5)10-20(11-26)21-8-16(2)29-25(31-21)32-22-9-17(3)33-34-22;1-14-10-28-35(13-14)22-12-26-19(11-27-22)17(4)30-24(36)25(37-5)8-18(9-25)23-29-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h2*6-9,11-14,19,37H,10,15-16H2,1-5H3,(H2,31,32,33,34);6-10,13-15,19,21H,11-12H2,1-5H3,(H,30,36)(H2,31,32,33,34);2*6-9,12-14,18,20H,10-11H2,1-5H3,(H,30,36)(H2,29,31,32,33,34);6-7,10-13,17-18H,8-9H2,1-5H3,(H,30,36)(H2,29,31,32,33,34)/t2*19-,27?,28?;19-,21?,27?;2*18-,20?,26?;17-,18?,25?/m110000/s1
InChIKeyISUUZFNRAGBNQZ-RGOCUBSISA-N
MW3005.62 g/mol
LogP23.97
Rot. Bonds48

About bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide

bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide (PubChem CID 158795485) has the molecular formula C160H190N50O12 and a molecular weight of 3005.62 g/mol. Its IUPAC name is bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Namebis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
PubChem CID158795485
Molecular FormulaC160H190N50O12
Molecular Weight3005.62 g/mol
Exact Mass3003.58
IUPAC Namebis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2cc(C)cc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(C)cn3)cn2)CC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C)(C(=O)C[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C)(C(=O)C[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1
InChIInChI=1S/2C28H33N7O2.C27H32N8O2.2C26H31N9O2.C25H30N10O2/c2*1-17-8-22(31-24(9-17)32-25-11-20(4)33-34-25)28(37)15-27(5,16-28)23(36)10-19(3)21-6-7-26(29-13-21)35-14-18(2)12-30-35;1-16-8-22(31-23(9-16)32-24-10-18(3)33-34-24)21-11-27(12-21,37-5)26(36)30-19(4)20-6-7-25(28-14-20)35-15-17(2)13-29-35;1-15-12-28-35(14-15)23-7-6-19(13-27-23)18(4)30-25(36)26(37-5)10-20(11-26)24-29-16(2)8-21(32-24)31-22-9-17(3)33-34-22;1-15-12-28-35(14-15)23-7-6-19(13-27-23)18(4)30-24(36)26(37-5)10-20(11-26)21-8-16(2)29-25(31-21)32-22-9-17(3)33-34-22;1-14-10-28-35(13-14)22-12-26-19(11-27-22)17(4)30-24(36)25(37-5)8-18(9-25)23-29-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h2*6-9,11-14,19,37H,10,15-16H2,1-5H3,(H2,31,32,33,34);6-10,13-15,19,21H,11-12H2,1-5H3,(H,30,36)(H2,31,32,33,34);2*6-9,12-14,18,20H,10-11H2,1-5H3,(H,30,36)(H2,29,31,32,33,34);6-7,10-13,17-18H,8-9H2,1-5H3,(H,30,36)(H2,29,31,32,33,34)/t2*19-,27?,28?;19-,21?,27?;2*18-,20?,26?;17-,18?,25?/m110000/s1
InChIKeyISUUZFNRAGBNQZ-RGOCUBSISA-N
XLogP23.97
TPSA785.34 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds48
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003005.62
LogP ≤ 523.97
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Analyze bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[3-fluoro-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(2S)-1-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]propan-2-yl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 157190415
3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide
CID 158032638
3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;bis(3-fluoro-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide);3-hydroxy-N-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;(3R)-1-[3-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide
CID 158653801
3-hydroxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide;1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;bis(1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide);3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,5-triazin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 161639094
3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 162123049
tris(4-[3-cyano-5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxycyclohexane-1-carboxamide);tris(4-[3-cyano-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxycyclohexane-1-carboxamide);tris(3-[3-cyano-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-hydroxycyclobutane-1-carboxamide);sulfane
CID 167650161
(3R)-3-hydroxy-5-[6-[6-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]-2-pyridinyl]-2-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1-methyl-3-[1-[6-[2-[[(1S)-1-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
CID 170573567

Frequently Asked Questions

What is the IUPAC name of bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide (CID 158795485) is bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide is COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2cc(C)cc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(C)cn3)cn2)CC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C)(C(=O)C[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C)(C(=O)C[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.
What is the InChIKey of bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide?
The InChIKey is ISUUZFNRAGBNQZ-RGOCUBSISA-N. The full InChI is InChI=1S/2C28H33N7O2.C27H32N8O2.2C26H31N9O2.C25H30N10O2/c2*1-17-8-22(31-24(9-17)32-25-11-20(4)33-34-25)28(37)15-27(5,16-28)23(36)10-19(3)21-6-7-26(29-13-21)35-14-18(2)12-30-35;1-16-8-22(31-23(9-16)32-24-10-18(3)33-34-24)21-11-27(12-21,37-5)26(36)30-19(4)20-6-7-25(28-14-20)35-15-17(2)13-29-35;1-15-12-28-35(14-15)23-7-6-19(13-27-23)18(4)30-25(36)26(37-5)10-20(11-26)24-29-16(2)8-21(32-24)31-22-9-17(3)33-34-22;1-15-12-28-35(14-15)23-7-6-19(13-27-23)18(4)30-24(36)26(37-5)10-20(11-26)21-8-16(2)29-25(31-21)32-22-9-17(3)33-34-22;1-14-10-28-35(13-14)22-12-26-19(11-27-22)17(4)30-24(36)25(37-5)8-18(9-25)23-29-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h2*6-9,11-14,19,37H,10,15-16H2,1-5H3,(H2,31,32,33,34);6-10,13-15,19,21H,11-12H2,1-5H3,(H,30,36)(H2,31,32,33,34);2*6-9,12-14,18,20H,10-11H2,1-5H3,(H,30,36)(H2,29,31,32,33,34);6-7,10-13,17-18H,8-9H2,1-5H3,(H,30,36)(H2,29,31,32,33,34)/t2*19-,27?,28?;19-,21?,27?;2*18-,20?,26?;17-,18?,25?/m110000/s1.
What are the key properties of bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide?
bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide has a molecular weight of 3005.62 g/mol, XLogP of 23.97, 48 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 158795485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).