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

C156H178ClF2N49O9 — CID 158653801

IUPAC3-[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
SMILESCOC1(C(=O)NCc2cnc(-n3cc(C)cn3)cn2)CC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)C1.COC1(c2cc(C)cc(Nc3cc(C)[nH]n3)n2)CC(C(=O)C[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)C1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(F)CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(F)CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C(=O)N(C)[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cnn(-c2ccc([C@H](C)NC(=O)C3CC(c4ncc(Cl)c(Cc5cc(C)[nH]n5)n4)C3)cn2)c1
InChIInChI=1S/C28H33N7O2.C27H32N8O2.2C26H29FN8O.C25H27ClN8O.C24H28N10O2/c1-17-8-24(31-25(9-17)32-26-11-20(4)33-34-26)28(37-5)12-22(13-28)23(36)10-19(3)21-6-7-27(29-15-21)35-16-18(2)14-30-35;1-16-8-22(30-23(9-16)31-24-10-18(3)32-33-24)27(37)11-21(12-27)26(36)34(5)19(4)20-6-7-25(28-14-20)35-15-17(2)13-29-35;2*1-15-7-21(31-22(8-15)32-23-9-17(3)33-34-23)26(27)10-20(11-26)25(36)30-18(4)19-5-6-24(28-13-19)35-14-16(2)12-29-35;1-14-10-29-34(13-14)23-5-4-17(11-27-23)16(3)30-25(35)19-7-18(8-19)24-28-12-21(26)22(31-24)9-20-6-15(2)32-33-20;1-14-9-28-34(13-14)21-12-25-18(10-26-21)11-27-22(35)24(36-4)7-17(8-24)19-5-15(2)29-23(30-19)31-20-6-16(3)32-33-20/h6-9,11,14-16,19,22H,10,12-13H2,1-5H3,(H2,31,32,33,34);6-10,13-15,19,21,37H,11-12H2,1-5H3,(H2,30,31,32,33);2*5-9,12-14,18,20H,10-11H2,1-4H3,(H,30,36)(H2,31,32,33,34);4-6,10-13,16,18-19H,7-9H2,1-3H3,(H,30,35)(H,32,33);5-6,9-10,12-13,17H,7-8,11H2,1-4H3,(H,27,35)(H2,29,30,31,32,33)/t19-,22?,28?;19-,21?,27?;2*18-,20?,26?;16-,18?,19?;/m10000./s1
InChIKeyIBWMADMRGHSATE-JUVGWEHFSA-N
MW2956.92 g/mol
LogP24.39
Rot. Bonds45

About 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

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 (PubChem CID 158653801) has the molecular formula C156H178ClF2N49O9 and a molecular weight of 2956.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158653801
Molecular FormulaC156H178ClF2N49O9
Molecular Weight2956.92 g/mol
Exact Mass2954.46
IUPAC Name3-[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
SMILESCOC1(C(=O)NCc2cnc(-n3cc(C)cn3)cn2)CC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)C1.COC1(c2cc(C)cc(Nc3cc(C)[nH]n3)n2)CC(C(=O)C[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)C1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(F)CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(F)CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C(=O)N(C)[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cnn(-c2ccc([C@H](C)NC(=O)C3CC(c4ncc(Cl)c(Cc5cc(C)[nH]n5)n4)C3)cn2)c1
InChIInChI=1S/C28H33N7O2.C27H32N8O2.2C26H29FN8O.C25H27ClN8O.C24H28N10O2/c1-17-8-24(31-25(9-17)32-26-11-20(4)33-34-26)28(37-5)12-22(13-28)23(36)10-19(3)21-6-7-27(29-15-21)35-16-18(2)14-30-35;1-16-8-22(30-23(9-16)31-24-10-18(3)32-33-24)27(37)11-21(12-27)26(36)34(5)19(4)20-6-7-25(28-14-20)35-15-17(2)13-29-35;2*1-15-7-21(31-22(8-15)32-23-9-17(3)33-34-23)26(27)10-20(11-26)25(36)30-18(4)19-5-6-24(28-13-19)35-14-16(2)12-29-35;1-14-10-29-34(13-14)23-5-4-17(11-27-23)16(3)30-25(35)19-7-18(8-19)24-28-12-21(26)22(31-24)9-20-6-15(2)32-33-20;1-14-9-28-34(13-14)21-12-25-18(10-26-21)11-27-22(35)24(36-4)7-17(8-24)19-5-15(2)29-23(30-19)31-20-6-16(3)32-33-20/h6-9,11,14-16,19,22H,10,12-13H2,1-5H3,(H2,31,32,33,34);6-10,13-15,19,21,37H,11-12H2,1-5H3,(H2,30,31,32,33);2*5-9,12-14,18,20H,10-11H2,1-4H3,(H,30,36)(H2,31,32,33,34);4-6,10-13,16,18-19H,7-9H2,1-3H3,(H,30,35)(H,32,33);5-6,9-10,12-13,17H,7-8,11H2,1-4H3,(H,27,35)(H2,29,30,31,32,33)/t19-,22?,28?;19-,21?,27?;2*18-,20?,26?;16-,18?,19?;/m10000./s1
InChIKeyIBWMADMRGHSATE-JUVGWEHFSA-N
XLogP24.39
TPSA724.97 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds45
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002956.92
LogP ≤ 524.39
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Analyze 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 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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1(C(=O)NCc2cnc(-n3cc(C)cn3)cn2)CC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)C1.COC1(c2cc(C)cc(Nc3cc(C)[nH]n3)n2)CC(C(=O)C[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)C1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(F)CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(F)CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CC(C(=O)N(C)[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cnn(-c2ccc([C@H](C)NC(=O)C3CC(c4ncc(Cl)c(Cc5cc(C)[nH]n5)n4)C3)cn2)c1.
What is the InChIKey of 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?
The InChIKey is IBWMADMRGHSATE-JUVGWEHFSA-N. The full InChI is InChI=1S/C28H33N7O2.C27H32N8O2.2C26H29FN8O.C25H27ClN8O.C24H28N10O2/c1-17-8-24(31-25(9-17)32-26-11-20(4)33-34-26)28(37-5)12-22(13-28)23(36)10-19(3)21-6-7-27(29-15-21)35-16-18(2)14-30-35;1-16-8-22(30-23(9-16)31-24-10-18(3)32-33-24)27(37)11-21(12-27)26(36)34(5)19(4)20-6-7-25(28-14-20)35-15-17(2)13-29-35;2*1-15-7-21(31-22(8-15)32-23-9-17(3)33-34-23)26(27)10-20(11-26)25(36)30-18(4)19-5-6-24(28-13-19)35-14-16(2)12-29-35;1-14-10-29-34(13-14)23-5-4-17(11-27-23)16(3)30-25(35)19-7-18(8-19)24-28-12-21(26)22(31-24)9-20-6-15(2)32-33-20;1-14-9-28-34(13-14)21-12-25-18(10-26-21)11-27-22(35)24(36-4)7-17(8-24)19-5-15(2)29-23(30-19)31-20-6-16(3)32-33-20/h6-9,11,14-16,19,22H,10,12-13H2,1-5H3,(H2,31,32,33,34);6-10,13-15,19,21,37H,11-12H2,1-5H3,(H2,30,31,32,33);2*5-9,12-14,18,20H,10-11H2,1-4H3,(H,30,36)(H2,31,32,33,34);4-6,10-13,16,18-19H,7-9H2,1-3H3,(H,30,35)(H,32,33);5-6,9-10,12-13,17H,7-8,11H2,1-4H3,(H,27,35)(H2,29,30,31,32,33)/t19-,22?,28?;19-,21?,27?;2*18-,20?,26?;16-,18?,19?;/m10000./s1.
What are the key properties of 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?
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 has a molecular weight of 2956.92 g/mol, XLogP of 24.39, 45 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158653801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).