4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C153H212F4N30O18S6 — CID 158596011

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C26H35N5O3S.2C26H37N5O3S.C25H33F2N5O3S.C25H35F2N5O3S.C25H35N5O3S/c1-15-12-19(30-26(4)10-5-11-26)27-13-18(15)21-20(24(33)31-16-6-7-17(31)9-8-16)29-23(35-21)22(32)28-14-25(2,3)34;1-15-12-19(30-26(5,6)17-9-10-17)27-13-18(15)21-20(24(33)31-11-7-8-16(31)2)29-23(35-21)22(32)28-14-25(3,4)34;1-7-25(3,4)30-19-12-15(2)18(13-27-19)21-20(24(33)31-16-8-9-17(31)11-10-16)29-23(35-21)22(32)28-14-26(5,6)34;1-14-9-17(31-24(5)7-6-8-24)28-11-16(14)19-18(22(34)32-13-25(26,27)10-15(32)2)30-21(36-19)20(33)29-12-23(3,4)35;1-8-23(4,5)31-17-9-14(2)16(11-28-17)19-18(22(34)32-13-25(26,27)10-15(32)3)30-21(36-19)20(33)29-12-24(6,7)35;1-15-12-18(29-25(5)9-7-10-25)26-13-17(15)20-19(23(32)30-11-6-8-16(30)2)28-22(34-20)21(31)27-14-24(3,4)33/h12-13,16-17,34H,5-11,14H2,1-4H3,(H,27,30)(H,28,32);2*12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);9,11,15,35H,6-8,10,12-13H2,1-5H3,(H,28,31)(H,29,33);9,11,15,35H,8,10,12-13H2,1-7H3,(H,28,31)(H,29,33);12-13,16,33H,6-11,14H2,1-5H3,(H,26,29)(H,27,31)/t;16-;;2*15-;16-/m.0.000/s1
InChIKeyHVANQGWOORWDPN-DISXUVAKSA-N
MW3027.96 g/mol
LogP25.47
Rot. Bonds45

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 158596011) has the molecular formula C153H212F4N30O18S6 and a molecular weight of 3027.96 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID158596011
Molecular FormulaC153H212F4N30O18S6
Molecular Weight3027.96 g/mol
Exact Mass3025.49
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C26H35N5O3S.2C26H37N5O3S.C25H33F2N5O3S.C25H35F2N5O3S.C25H35N5O3S/c1-15-12-19(30-26(4)10-5-11-26)27-13-18(15)21-20(24(33)31-16-6-7-17(31)9-8-16)29-23(35-21)22(32)28-14-25(2,3)34;1-15-12-19(30-26(5,6)17-9-10-17)27-13-18(15)21-20(24(33)31-11-7-8-16(31)2)29-23(35-21)22(32)28-14-25(3,4)34;1-7-25(3,4)30-19-12-15(2)18(13-27-19)21-20(24(33)31-16-8-9-17(31)11-10-16)29-23(35-21)22(32)28-14-26(5,6)34;1-14-9-17(31-24(5)7-6-8-24)28-11-16(14)19-18(22(34)32-13-25(26,27)10-15(32)2)30-21(36-19)20(33)29-12-23(3,4)35;1-8-23(4,5)31-17-9-14(2)16(11-28-17)19-18(22(34)32-13-25(26,27)10-15(32)3)30-21(36-19)20(33)29-12-24(6,7)35;1-15-12-18(29-25(5)9-7-10-25)26-13-17(15)20-19(23(32)30-11-6-8-16(30)2)28-22(34-20)21(31)27-14-24(3,4)33/h12-13,16-17,34H,5-11,14H2,1-4H3,(H,27,30)(H,28,32);2*12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);9,11,15,35H,6-8,10,12-13H2,1-5H3,(H,28,31)(H,29,33);9,11,15,35H,8,10,12-13H2,1-7H3,(H,28,31)(H,29,33);12-13,16,33H,6-11,14H2,1-5H3,(H,26,29)(H,27,31)/t;16-;;2*15-;16-/m.0.000/s1
InChIKeyHVANQGWOORWDPN-DISXUVAKSA-N
XLogP25.47
TPSA644.70 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds45
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003027.96
LogP ≤ 525.47
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 158596011) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HVANQGWOORWDPN-DISXUVAKSA-N. The full InChI is InChI=1S/C26H35N5O3S.2C26H37N5O3S.C25H33F2N5O3S.C25H35F2N5O3S.C25H35N5O3S/c1-15-12-19(30-26(4)10-5-11-26)27-13-18(15)21-20(24(33)31-16-6-7-17(31)9-8-16)29-23(35-21)22(32)28-14-25(2,3)34;1-15-12-19(30-26(5,6)17-9-10-17)27-13-18(15)21-20(24(33)31-11-7-8-16(31)2)29-23(35-21)22(32)28-14-25(3,4)34;1-7-25(3,4)30-19-12-15(2)18(13-27-19)21-20(24(33)31-16-8-9-17(31)11-10-16)29-23(35-21)22(32)28-14-26(5,6)34;1-14-9-17(31-24(5)7-6-8-24)28-11-16(14)19-18(22(34)32-13-25(26,27)10-15(32)2)30-21(36-19)20(33)29-12-23(3,4)35;1-8-23(4,5)31-17-9-14(2)16(11-28-17)19-18(22(34)32-13-25(26,27)10-15(32)3)30-21(36-19)20(33)29-12-24(6,7)35;1-15-12-18(29-25(5)9-7-10-25)26-13-17(15)20-19(23(32)30-11-6-8-16(30)2)28-22(34-20)21(31)27-14-24(3,4)33/h12-13,16-17,34H,5-11,14H2,1-4H3,(H,27,30)(H,28,32);2*12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);9,11,15,35H,6-8,10,12-13H2,1-5H3,(H,28,31)(H,29,33);9,11,15,35H,8,10,12-13H2,1-7H3,(H,28,31)(H,29,33);12-13,16,33H,6-11,14H2,1-5H3,(H,26,29)(H,27,31)/t;16-;;2*15-;16-/m.0.000/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3027.96 g/mol, XLogP of 25.47, 45 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2-cyclopropylpropan-2-ylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158596011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).