N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine

C174H178F3N59O10 — CID 165107533

IUPACN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2ccc(CNCc3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc(CNC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/2C26H29N7O2.C25H24N10O.C25H26N10.C24H23F2N7O2.C24H24FN7O2.C24H23N11O/c2*1-6-35-21-9-7-19(8-10-21)18(5)29-26(34)24-15(2)11-20(14-27-24)25-28-16(3)12-22(31-25)30-23-13-17(4)32-33-23;1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35;1-16-10-29-35(15-16)24-7-4-19(12-28-24)11-26-14-21-6-5-20(13-27-21)25-30-17(2)8-22(32-25)31-23-9-18(3)33-34-23;1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26;1-14-10-21(29-22-11-15(2)31-32-22)30-23(28-14)18-6-9-20(26-13-18)24(33)27-12-17-4-7-19(8-5-17)34-16(3)25;1-14-8-29-35(13-14)22-12-25-18(10-27-22)11-28-24(36)19-5-4-17(9-26-19)23-30-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h2*7-14,18H,6H2,1-5H3,(H,29,34)(H2,28,30,31,32,33);4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34);4-10,12-13,15,26H,11,14H2,1-3H3,(H2,30,31,32,33,34);4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33);4-11,13,16H,12H2,1-3H3,(H,27,33)(H2,28,29,30,31,32);4-10,12-13H,11H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)/t2*18-;;;;;/m10...../s1
InChIKeyZJWREAVDIGSFBC-BXVORUBVSA-N
MW3312.73 g/mol
LogP28.51
Rot. Bonds54

About N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine

N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine (PubChem CID 165107533) has the molecular formula C174H178F3N59O10 and a molecular weight of 3312.73 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine
PubChem CID165107533
Molecular FormulaC174H178F3N59O10
Molecular Weight3312.73 g/mol
Exact Mass3310.52
IUPAC NameN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2ccc(CNCc3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc(CNC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/2C26H29N7O2.C25H24N10O.C25H26N10.C24H23F2N7O2.C24H24FN7O2.C24H23N11O/c2*1-6-35-21-9-7-19(8-10-21)18(5)29-26(34)24-15(2)11-20(14-27-24)25-28-16(3)12-22(31-25)30-23-13-17(4)32-33-23;1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35;1-16-10-29-35(15-16)24-7-4-19(12-28-24)11-26-14-21-6-5-20(13-27-21)25-30-17(2)8-22(32-25)31-23-9-18(3)33-34-23;1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26;1-14-10-21(29-22-11-15(2)31-32-22)30-23(28-14)18-6-9-20(26-13-18)24(33)27-12-17-4-7-19(8-5-17)34-16(3)25;1-14-8-29-35(13-14)22-12-25-18(10-27-22)11-28-24(36)19-5-4-17(9-26-19)23-30-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h2*7-14,18H,6H2,1-5H3,(H,29,34)(H2,28,30,31,32,33);4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34);4-10,12-13,15,26H,11,14H2,1-3H3,(H2,30,31,32,33,34);4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33);4-11,13,16H,12H2,1-3H3,(H,27,33)(H2,28,29,30,31,32);4-10,12-13H,11H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)/t2*18-;;;;;/m10...../s1
InChIKeyZJWREAVDIGSFBC-BXVORUBVSA-N
XLogP28.51
TPSA884.23 Ų
H-Bond Donors21
H-Bond Acceptors56
Rotatable Bonds54
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003312.73
LogP ≤ 528.51
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1056

Analyze N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine (CID 165107533) is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine is CCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2ccc(CNCc3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc(CNC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.
What is the InChIKey of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is ZJWREAVDIGSFBC-BXVORUBVSA-N. The full InChI is InChI=1S/2C26H29N7O2.C25H24N10O.C25H26N10.C24H23F2N7O2.C24H24FN7O2.C24H23N11O/c2*1-6-35-21-9-7-19(8-10-21)18(5)29-26(34)24-15(2)11-20(14-27-24)25-28-16(3)12-22(31-25)30-23-13-17(4)32-33-23;1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35;1-16-10-29-35(15-16)24-7-4-19(12-28-24)11-26-14-21-6-5-20(13-27-21)25-30-17(2)8-22(32-25)31-23-9-18(3)33-34-23;1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26;1-14-10-21(29-22-11-15(2)31-32-22)30-23(28-14)18-6-9-20(26-13-18)24(33)27-12-17-4-7-19(8-5-17)34-16(3)25;1-14-8-29-35(13-14)22-12-25-18(10-27-22)11-28-24(36)19-5-4-17(9-26-19)23-30-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h2*7-14,18H,6H2,1-5H3,(H,29,34)(H2,28,30,31,32,33);4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34);4-10,12-13,15,26H,11,14H2,1-3H3,(H2,30,31,32,33,34);4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33);4-11,13,16H,12H2,1-3H3,(H,27,33)(H2,28,29,30,31,32);4-10,12-13H,11H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)/t2*18-;;;;;/m10...../s1.
What are the key properties of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine?
N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 3312.73 g/mol, XLogP of 28.51, 54 rotatable bonds, 21 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 165107533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).