4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C155H212F2N30O18S6 — CID 161168152

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1.CC[C@@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2
InChIInChI=1S/C28H37N5O3S.2C27H37N5O3S.C26H37N5O3S.C24H33N5O3S.C23H31F2N5O3S/c1-15-12-21(31-22(16-4-5-16)17-6-7-17)29-13-20(15)24-23(27(35)33-18-8-9-19(33)11-10-18)32-26(37-24)25(34)30-14-28(2,3)36;2*1-5-20(16-6-7-16)30-21-12-15(2)19(13-28-21)23-22(26(34)32-17-8-9-18(32)11-10-17)31-25(36-23)24(33)29-14-27(3,4)35;1-6-19(17-9-10-17)29-20-12-15(2)18(13-27-20)22-21(25(33)31-11-7-8-16(31)3)30-24(35-22)23(32)28-14-26(4,5)34;1-13(2)27-18-10-14(3)17(11-25-18)20-19(23(31)29-15-6-7-16(29)9-8-15)28-22(33-20)21(30)26-12-24(4,5)32;1-12(2)28-16-7-13(3)15(9-26-16)18-17(21(32)30-11-23(24,25)8-14(30)4)29-20(34-18)19(31)27-10-22(5,6)33/h12-13,16-19,22,36H,4-11,14H2,1-3H3,(H,29,31)(H,30,34);2*12-13,16-18,20,35H,5-11,14H2,1-4H3,(H,28,30)(H,29,33);12-13,16-17,19,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);10-11,13,15-16,32H,6-9,12H2,1-5H3,(H,25,27)(H,26,30);7,9,12,14,33H,8,10-11H2,1-6H3,(H,26,28)(H,27,31)/t;2*17?,18?,20-;16-,19+;;14-/m.100.0/s1
InChIKeyUQVCSMDQJXNPTP-MZTQLILYSA-N
MW3013.99 g/mol
LogP24.69
Rot. Bonds50

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 161168152) has the molecular formula C155H212F2N30O18S6 and a molecular weight of 3013.99 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID161168152
Molecular FormulaC155H212F2N30O18S6
Molecular Weight3013.99 g/mol
Exact Mass3011.49
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1.CC[C@@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2
InChIInChI=1S/C28H37N5O3S.2C27H37N5O3S.C26H37N5O3S.C24H33N5O3S.C23H31F2N5O3S/c1-15-12-21(31-22(16-4-5-16)17-6-7-17)29-13-20(15)24-23(27(35)33-18-8-9-19(33)11-10-18)32-26(37-24)25(34)30-14-28(2,3)36;2*1-5-20(16-6-7-16)30-21-12-15(2)19(13-28-21)23-22(26(34)32-17-8-9-18(32)11-10-17)31-25(36-23)24(33)29-14-27(3,4)35;1-6-19(17-9-10-17)29-20-12-15(2)18(13-27-20)22-21(25(33)31-11-7-8-16(31)3)30-24(35-22)23(32)28-14-26(4,5)34;1-13(2)27-18-10-14(3)17(11-25-18)20-19(23(31)29-15-6-7-16(29)9-8-15)28-22(33-20)21(30)26-12-24(4,5)32;1-12(2)28-16-7-13(3)15(9-26-16)18-17(21(32)30-11-23(24,25)8-14(30)4)29-20(34-18)19(31)27-10-22(5,6)33/h12-13,16-19,22,36H,4-11,14H2,1-3H3,(H,29,31)(H,30,34);2*12-13,16-18,20,35H,5-11,14H2,1-4H3,(H,28,30)(H,29,33);12-13,16-17,19,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);10-11,13,15-16,32H,6-9,12H2,1-5H3,(H,25,27)(H,26,30);7,9,12,14,33H,8,10-11H2,1-6H3,(H,26,28)(H,27,31)/t;2*17?,18?,20-;16-,19+;;14-/m.100.0/s1
InChIKeyUQVCSMDQJXNPTP-MZTQLILYSA-N
XLogP24.69
TPSA644.70 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds50
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003013.99
LogP ≤ 524.69
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-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)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 161168152) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is CC[C@@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1.CC[C@@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is UQVCSMDQJXNPTP-MZTQLILYSA-N. The full InChI is InChI=1S/C28H37N5O3S.2C27H37N5O3S.C26H37N5O3S.C24H33N5O3S.C23H31F2N5O3S/c1-15-12-21(31-22(16-4-5-16)17-6-7-17)29-13-20(15)24-23(27(35)33-18-8-9-19(33)11-10-18)32-26(37-24)25(34)30-14-28(2,3)36;2*1-5-20(16-6-7-16)30-21-12-15(2)19(13-28-21)23-22(26(34)32-17-8-9-18(32)11-10-17)31-25(36-23)24(33)29-14-27(3,4)35;1-6-19(17-9-10-17)29-20-12-15(2)18(13-27-20)22-21(25(33)31-11-7-8-16(31)3)30-24(35-22)23(32)28-14-26(4,5)34;1-13(2)27-18-10-14(3)17(11-25-18)20-19(23(31)29-15-6-7-16(29)9-8-15)28-22(33-20)21(30)26-12-24(4,5)32;1-12(2)28-16-7-13(3)15(9-26-16)18-17(21(32)30-11-23(24,25)8-14(30)4)29-20(34-18)19(31)27-10-22(5,6)33/h12-13,16-19,22,36H,4-11,14H2,1-3H3,(H,29,31)(H,30,34);2*12-13,16-18,20,35H,5-11,14H2,1-4H3,(H,28,30)(H,29,33);12-13,16-17,19,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);10-11,13,15-16,32H,6-9,12H2,1-5H3,(H,25,27)(H,26,30);7,9,12,14,33H,8,10-11H2,1-6H3,(H,26,28)(H,27,31)/t;2*17?,18?,20-;16-,19+;;14-/m.100.0/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3013.99 g/mol, XLogP of 24.69, 50 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)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylpropyl]amino]-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-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 161168152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).