N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

C232H228N62O11S — CID 164966678

IUPACN-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccccc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCC3=CCC=C3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCc3cccs3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)C[C@H](C)c3ccccc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N3Cc4ccccc4C3)nc2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)nc1.Cc1cccc(CCC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)c1
InChIInChI=1S/C24H24N6O2.4C24H24N6O.C23H21N7O.C23H23N7O.C23H22N6O.C22H22N6O.C21H20N6OS/c1-15-10-19(12-20-11-16(2)29-30-20)28-23(27-15)18-6-9-22(25-14-18)24(31)26-13-17-4-7-21(32-3)8-5-17;2*1-15-4-6-18(7-5-15)13-26-24(31)22-9-8-19(14-25-22)23-27-16(2)10-20(28-23)12-21-11-17(3)29-30-21;1-15-5-4-6-18(11-15)7-10-21(31)20-9-8-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-15(18-7-5-4-6-8-18)11-21(31)20-10-9-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30;1-14-4-6-18(24-11-14)13-26-23(31)21-7-5-17(12-25-21)22-27-15(2)8-19(28-22)10-20-9-16(3)29-30-20;1-15-10-19(12-20-11-16(2)28-29-20)27-22(26-15)18-8-9-21(24-14-18)23(30)25-13-17-6-4-3-5-7-17;1-14-11-20(25-21-12-15(2)27-28-21)26-22(24-14)17-8-9-18(23-13-17)19(29)10-7-16-5-3-4-6-16;1-13-10-19(24-20-11-14(2)26-27-20)25-21(23-13)15-5-7-17(22-12-15)18(28)8-6-16-4-3-9-29-16/h4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);2*4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);4-6,8-9,11-14H,7,10H2,1-3H3,(H2,26,27,28,29,30);4-10,12-15H,11H2,1-3H3,(H2,26,27,28,29,30);3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29);4-9,11-12H,10,13H2,1-3H3,(H,26,31)(H,29,30);3-11,14H,12-13H2,1-2H3,(H,25,30)(H,28,29);3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H2,24,25,26,27,28);3-5,7,9-12H,6,8H2,1-2H3,(H2,23,24,25,26,27)/t;;;;15-;;;;;/m....0...../s1
InChIKeyCONXHCXSCKXEHY-XUURHVTFSA-N
MW4092.87 g/mol
LogP39.82
Rot. Bonds63

About N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 164966678) has the molecular formula C232H228N62O11S and a molecular weight of 4092.87 g/mol. Its IUPAC name is N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID164966678
Molecular FormulaC232H228N62O11S
Molecular Weight4092.87 g/mol
Exact Mass4089.89
IUPAC NameN-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccccc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCC3=CCC=C3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCc3cccs3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)C[C@H](C)c3ccccc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N3Cc4ccccc4C3)nc2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)nc1.Cc1cccc(CCC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)c1
InChIInChI=1S/C24H24N6O2.4C24H24N6O.C23H21N7O.C23H23N7O.C23H22N6O.C22H22N6O.C21H20N6OS/c1-15-10-19(12-20-11-16(2)29-30-20)28-23(27-15)18-6-9-22(25-14-18)24(31)26-13-17-4-7-21(32-3)8-5-17;2*1-15-4-6-18(7-5-15)13-26-24(31)22-9-8-19(14-25-22)23-27-16(2)10-20(28-23)12-21-11-17(3)29-30-21;1-15-5-4-6-18(11-15)7-10-21(31)20-9-8-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-15(18-7-5-4-6-8-18)11-21(31)20-10-9-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30;1-14-4-6-18(24-11-14)13-26-23(31)21-7-5-17(12-25-21)22-27-15(2)8-19(28-22)10-20-9-16(3)29-30-20;1-15-10-19(12-20-11-16(2)28-29-20)27-22(26-15)18-8-9-21(24-14-18)23(30)25-13-17-6-4-3-5-7-17;1-14-11-20(25-21-12-15(2)27-28-21)26-22(24-14)17-8-9-18(23-13-17)19(29)10-7-16-5-3-4-6-16;1-13-10-19(24-20-11-14(2)26-27-20)25-21(23-13)15-5-7-17(22-12-15)18(28)8-6-16-4-3-9-29-16/h4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);2*4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);4-6,8-9,11-14H,7,10H2,1-3H3,(H2,26,27,28,29,30);4-10,12-15H,11H2,1-3H3,(H2,26,27,28,29,30);3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29);4-9,11-12H,10,13H2,1-3H3,(H,26,31)(H,29,30);3-11,14H,12-13H2,1-2H3,(H,25,30)(H,28,29);3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H2,24,25,26,27,28);3-5,7,9-12H,6,8H2,1-2H3,(H2,23,24,25,26,27)/t;;;;15-;;;;;/m....0...../s1
InChIKeyCONXHCXSCKXEHY-XUURHVTFSA-N
XLogP39.82
TPSA989.86 Ų
H-Bond Donors20
H-Bond Acceptors58
Rotatable Bonds63
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004092.87
LogP ≤ 539.82
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1058

Analyze N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 164966678) is N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccccc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCC3=CCC=C3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCc3cccs3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)C[C@H](C)c3ccccc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N3Cc4ccccc4C3)nc2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)nc1.Cc1cccc(CCC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)c1.
What is the InChIKey of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is CONXHCXSCKXEHY-XUURHVTFSA-N. The full InChI is InChI=1S/C24H24N6O2.4C24H24N6O.C23H21N7O.C23H23N7O.C23H22N6O.C22H22N6O.C21H20N6OS/c1-15-10-19(12-20-11-16(2)29-30-20)28-23(27-15)18-6-9-22(25-14-18)24(31)26-13-17-4-7-21(32-3)8-5-17;2*1-15-4-6-18(7-5-15)13-26-24(31)22-9-8-19(14-25-22)23-27-16(2)10-20(28-23)12-21-11-17(3)29-30-21;1-15-5-4-6-18(11-15)7-10-21(31)20-9-8-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-15(18-7-5-4-6-8-18)11-21(31)20-10-9-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30;1-14-4-6-18(24-11-14)13-26-23(31)21-7-5-17(12-25-21)22-27-15(2)8-19(28-22)10-20-9-16(3)29-30-20;1-15-10-19(12-20-11-16(2)28-29-20)27-22(26-15)18-8-9-21(24-14-18)23(30)25-13-17-6-4-3-5-7-17;1-14-11-20(25-21-12-15(2)27-28-21)26-22(24-14)17-8-9-18(23-13-17)19(29)10-7-16-5-3-4-6-16;1-13-10-19(24-20-11-14(2)26-27-20)25-21(23-13)15-5-7-17(22-12-15)18(28)8-6-16-4-3-9-29-16/h4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);2*4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);4-6,8-9,11-14H,7,10H2,1-3H3,(H2,26,27,28,29,30);4-10,12-15H,11H2,1-3H3,(H2,26,27,28,29,30);3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29);4-9,11-12H,10,13H2,1-3H3,(H,26,31)(H,29,30);3-11,14H,12-13H2,1-2H3,(H,25,30)(H,28,29);3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H2,24,25,26,27,28);3-5,7,9-12H,6,8H2,1-2H3,(H2,23,24,25,26,27)/t;;;;15-;;;;;/m....0...../s1.
What are the key properties of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 4092.87 g/mol, XLogP of 39.82, 63 rotatable bonds, 20 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-cyclopenta-1,4-dien-1-yl-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;1,3-dihydroisoindol-2-yl-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]methanone;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;(3S)-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-phenylbutan-1-one;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-thiophen-2-ylpropan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 164966678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).