4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide

C130H173F4N25O16S5 — CID 157120475

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
SMILESCCNc1cc(C)c(-c2sc(C(=O)N[C@@H]3COC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@H](C)C2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C28H37N5O3S.C27H35F2N5O3S.C27H37N5O3S.C26H37N5O3S.C22H27F2N5O4S/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;1-14-9-19(32-20(16-5-6-16)17-7-8-17)30-11-18(14)22-21(25(36)34-13-27(28,29)10-15(34)2)33-24(38-22)23(35)31-12-26(3,4)37;1-15-12-21(30-16(2)17-6-5-7-17)28-13-20(15)23-22(26(34)32-18-8-9-19(32)11-10-18)31-25(36-23)24(33)29-14-27(3,4)35;1-15-12-20(29-17(3)18-9-6-10-18)27-13-19(15)22-21(25(33)31-11-7-8-16(31)2)30-24(35-22)23(32)28-14-26(4,5)34;1-4-25-16-5-11(2)13(7-26-16)18-17(21(32)29-10-22(23,24)6-12(29)3)28-20(34-18)19(31)27-14-8-33-9-15(14)30/h12-13,16-19,22,36H,4-11,14H2,1-3H3,(H,29,31)(H,30,34);9,11,15-17,20,37H,5-8,10,12-13H2,1-4H3,(H,30,32)(H,31,35);12-13,16-19,35H,5-11,14H2,1-4H3,(H,28,30)(H,29,33);12-13,16-18,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);5,7,12,14-15,30H,4,6,8-10H2,1-3H3,(H,25,26)(H,27,31)/t;15-;16-,18?,19?;16-,17+;12-,14+,15-/m.0100/s1
InChIKeyAHXHNIRIJBGYRW-VISQUEGKSA-N
MW2578.30 g/mol
LogP19.79
Rot. Bonds40

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 157120475) has the molecular formula C130H173F4N25O16S5 and a molecular weight of 2578.30 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID157120475
Molecular FormulaC130H173F4N25O16S5
Molecular Weight2578.30 g/mol
Exact Mass2576.20
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
SMILESCCNc1cc(C)c(-c2sc(C(=O)N[C@@H]3COC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@H](C)C2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C28H37N5O3S.C27H35F2N5O3S.C27H37N5O3S.C26H37N5O3S.C22H27F2N5O4S/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;1-14-9-19(32-20(16-5-6-16)17-7-8-17)30-11-18(14)22-21(25(36)34-13-27(28,29)10-15(34)2)33-24(38-22)23(35)31-12-26(3,4)37;1-15-12-21(30-16(2)17-6-5-7-17)28-13-20(15)23-22(26(34)32-18-8-9-19(32)11-10-18)31-25(36-23)24(33)29-14-27(3,4)35;1-15-12-20(29-17(3)18-9-6-10-18)27-13-19(15)22-21(25(33)31-11-7-8-16(31)2)30-24(35-22)23(32)28-14-26(4,5)34;1-4-25-16-5-11(2)13(7-26-16)18-17(21(32)29-10-22(23,24)6-12(29)3)28-20(34-18)19(31)27-14-8-33-9-15(14)30/h12-13,16-19,22,36H,4-11,14H2,1-3H3,(H,29,31)(H,30,34);9,11,15-17,20,37H,5-8,10,12-13H2,1-4H3,(H,30,32)(H,31,35);12-13,16-19,35H,5-11,14H2,1-4H3,(H,28,30)(H,29,33);12-13,16-18,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);5,7,12,14-15,30H,4,6,8-10H2,1-3H3,(H,25,26)(H,27,31)/t;15-;16-,18?,19?;16-,17+;12-,14+,15-/m.0100/s1
InChIKeyAHXHNIRIJBGYRW-VISQUEGKSA-N
XLogP19.79
TPSA546.48 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.30
LogP ≤ 519.79
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

US10975068, Example 442
CID 132057121
US10975068, Example 417
CID 132057723
US10975068, Example 208
CID 132057792
US10975068, Example 209
CID 132057860
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
CID 132071962
CID 157050633
CID 157050633
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methylbutyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 157051928
CID 157058098
CID 157058098
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157059046
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-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)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157062011
CID 157075949
CID 157075949
CID 157080629
CID 157080629

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide (CID 157120475) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide is CCNc1cc(C)c(-c2sc(C(=O)N[C@@H]3COC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C2CC2)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@H](C)C2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CCC2)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)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is AHXHNIRIJBGYRW-VISQUEGKSA-N. The full InChI is InChI=1S/C28H37N5O3S.C27H35F2N5O3S.C27H37N5O3S.C26H37N5O3S.C22H27F2N5O4S/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;1-14-9-19(32-20(16-5-6-16)17-7-8-17)30-11-18(14)22-21(25(36)34-13-27(28,29)10-15(34)2)33-24(38-22)23(35)31-12-26(3,4)37;1-15-12-21(30-16(2)17-6-5-7-17)28-13-20(15)23-22(26(34)32-18-8-9-19(32)11-10-18)31-25(36-23)24(33)29-14-27(3,4)35;1-15-12-20(29-17(3)18-9-6-10-18)27-13-19(15)22-21(25(33)31-11-7-8-16(31)2)30-24(35-22)23(32)28-14-26(4,5)34;1-4-25-16-5-11(2)13(7-26-16)18-17(21(32)29-10-22(23,24)6-12(29)3)28-20(34-18)19(31)27-14-8-33-9-15(14)30/h12-13,16-19,22,36H,4-11,14H2,1-3H3,(H,29,31)(H,30,34);9,11,15-17,20,37H,5-8,10,12-13H2,1-4H3,(H,30,32)(H,31,35);12-13,16-19,35H,5-11,14H2,1-4H3,(H,28,30)(H,29,33);12-13,16-18,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);5,7,12,14-15,30H,4,6,8-10H2,1-3H3,(H,25,26)(H,27,31)/t;15-;16-,18?,19?;16-,17+;12-,14+,15-/m.0100/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 2578.30 g/mol, XLogP of 19.79, 40 rotatable bonds, 15 hydrogen bond donors, and 36 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-cyclobutylethyl]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;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157120475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).