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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide

C153H216F6N30O18S6 — CID 157217480

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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C27H39N5O3S.C26H37N5O3S.C26H39N5O3S.C25H32F3N5O3S.C25H37N5O3S.C24H32F3N5O3S/c1-16-13-20(31-27(5,6)18-10-11-18)28-14-19(16)22-21(25(34)32-12-8-7-9-17(32)2)30-24(36-22)23(33)29-15-26(3,4)35;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;1-16-12-19(28-14-25(3,4)5)27-13-18(16)21-20(24(33)31-11-9-8-10-17(31)2)30-23(35-21)22(32)29-15-26(6,7)34;1-5-17(25(26,27)28)31-18-10-13(2)16(11-29-18)20-19(23(35)33-14-6-7-15(33)9-8-14)32-22(37-20)21(34)30-12-24(3,4)36;1-15-11-18(27-13-24(3,4)5)26-12-17(15)20-19(23(32)30-10-8-9-16(30)2)29-22(34-20)21(31)28-14-25(6,7)33;1-6-16(24(25,26)27)30-17-10-13(2)15(11-28-17)19-18(22(34)32-9-7-8-14(32)3)31-21(36-19)20(33)29-12-23(4,5)35/h13-14,17-18,35H,7-12,15H2,1-6H3,(H,28,31)(H,29,33);12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);12-13,17,34H,8-11,14-15H2,1-7H3,(H,27,28)(H,29,32);10-11,14-15,17,36H,5-9,12H2,1-4H3,(H,29,31)(H,30,34);11-12,16,33H,8-10,13-14H2,1-7H3,(H,26,27)(H,28,31);10-11,14,16,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33)/t17-;;17-;14?,15?,17-;16-;14-,16-/m0.0000/s1
InChIKeyASOYOVIJGNYYRO-SQLSJNKLSA-N
MW3069.99 g/mol
LogP26.52
Rot. Bonds46

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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-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-(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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 157217480) has the molecular formula C153H216F6N30O18S6 and a molecular weight of 3069.99 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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID157217480
Molecular FormulaC153H216F6N30O18S6
Molecular Weight3069.99 g/mol
Exact Mass3067.51
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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C27H39N5O3S.C26H37N5O3S.C26H39N5O3S.C25H32F3N5O3S.C25H37N5O3S.C24H32F3N5O3S/c1-16-13-20(31-27(5,6)18-10-11-18)28-14-19(16)22-21(25(34)32-12-8-7-9-17(32)2)30-24(36-22)23(33)29-15-26(3,4)35;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;1-16-12-19(28-14-25(3,4)5)27-13-18(16)21-20(24(33)31-11-9-8-10-17(31)2)30-23(35-21)22(32)29-15-26(6,7)34;1-5-17(25(26,27)28)31-18-10-13(2)16(11-29-18)20-19(23(35)33-14-6-7-15(33)9-8-14)32-22(37-20)21(34)30-12-24(3,4)36;1-15-11-18(27-13-24(3,4)5)26-12-17(15)20-19(23(32)30-10-8-9-16(30)2)29-22(34-20)21(31)28-14-25(6,7)33;1-6-16(24(25,26)27)30-17-10-13(2)15(11-28-17)19-18(22(34)32-9-7-8-14(32)3)31-21(36-19)20(33)29-12-23(4,5)35/h13-14,17-18,35H,7-12,15H2,1-6H3,(H,28,31)(H,29,33);12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);12-13,17,34H,8-11,14-15H2,1-7H3,(H,27,28)(H,29,32);10-11,14-15,17,36H,5-9,12H2,1-4H3,(H,29,31)(H,30,34);11-12,16,33H,8-10,13-14H2,1-7H3,(H,26,27)(H,28,31);10-11,14,16,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33)/t17-;;17-;14?,15?,17-;16-;14-,16-/m0.0000/s1
InChIKeyASOYOVIJGNYYRO-SQLSJNKLSA-N
XLogP26.52
TPSA644.70 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds46
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003069.99
LogP ≤ 526.52
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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-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)-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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 157217480) 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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ASOYOVIJGNYYRO-SQLSJNKLSA-N. The full InChI is InChI=1S/C27H39N5O3S.C26H37N5O3S.C26H39N5O3S.C25H32F3N5O3S.C25H37N5O3S.C24H32F3N5O3S/c1-16-13-20(31-27(5,6)18-10-11-18)28-14-19(16)22-21(25(34)32-12-8-7-9-17(32)2)30-24(36-22)23(33)29-15-26(3,4)35;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;1-16-12-19(28-14-25(3,4)5)27-13-18(16)21-20(24(33)31-11-9-8-10-17(31)2)30-23(35-21)22(32)29-15-26(6,7)34;1-5-17(25(26,27)28)31-18-10-13(2)16(11-29-18)20-19(23(35)33-14-6-7-15(33)9-8-14)32-22(37-20)21(34)30-12-24(3,4)36;1-15-11-18(27-13-24(3,4)5)26-12-17(15)20-19(23(32)30-10-8-9-16(30)2)29-22(34-20)21(31)28-14-25(6,7)33;1-6-16(24(25,26)27)30-17-10-13(2)15(11-28-17)19-18(22(34)32-9-7-8-14(32)3)31-21(36-19)20(33)29-12-23(4,5)35/h13-14,17-18,35H,7-12,15H2,1-6H3,(H,28,31)(H,29,33);12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);12-13,17,34H,8-11,14-15H2,1-7H3,(H,27,28)(H,29,32);10-11,14-15,17,36H,5-9,12H2,1-4H3,(H,29,31)(H,30,34);11-12,16,33H,8-10,13-14H2,1-7H3,(H,26,27)(H,28,31);10-11,14,16,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33)/t17-;;17-;14?,15?,17-;16-;14-,16-/m0.0000/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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-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-(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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3069.99 g/mol, XLogP of 26.52, 46 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-[[(2S)-1,1,1-trifluorobutan-2-yl]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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157217480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).