4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide

C124H167F4N25O17S5 — CID 157125696

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H33F2N5O3S.C26H35F2N5O3S.C25H33N5O4S.C24H33N5O4S.C23H33N5O3S/c1-13-9-20(30-15(3)16-7-8-16)29-11-17(13)22-21(25(36)33-12-26(27,28)10-14(33)2)32-24(37-22)23(35)31-18-5-4-6-19(18)34;1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-4-14(3)27-20-9-13(2)17(10-26-20)22-21(25(33)30-15-5-6-16(30)8-7-15)29-24(35-22)23(32)28-18-11-34-12-19(18)31;1-5-14(3)26-19-9-13(2)16(10-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(34-21)22(31)27-17-11-33-12-18(17)30;1-6-14(3)25-18-10-13(2)17(11-24-18)20-19(23(31)28-9-7-8-16(28)5)27-22(32-20)21(30)26-15(4)12-29/h9,11,14-16,18-19,34H,4-8,10,12H2,1-3H3,(H,29,30)(H,31,35);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9-10,14-16,18-19,31H,4-8,11-12H2,1-3H3,(H,26,27)(H,28,32);9-10,14-15,17-18,30H,5-8,11-12H2,1-4H3,(H,25,26)(H,27,31);10-11,14-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-,15-,18+,19-;14-,15-,16-;14-,15?,16?,18-,19-;14-,15-,17-,18-;14-,15+,16-/m00100/s1
InChIKeyAIMCMLYTUIJIPS-IFDLNBAASA-N
MW2516.18 g/mol
LogP18.00
Rot. Bonds37

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 157125696) has the molecular formula C124H167F4N25O17S5 and a molecular weight of 2516.18 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
PubChem CID157125696
Molecular FormulaC124H167F4N25O17S5
Molecular Weight2516.18 g/mol
Exact Mass2514.15
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H33F2N5O3S.C26H35F2N5O3S.C25H33N5O4S.C24H33N5O4S.C23H33N5O3S/c1-13-9-20(30-15(3)16-7-8-16)29-11-17(13)22-21(25(36)33-12-26(27,28)10-14(33)2)32-24(37-22)23(35)31-18-5-4-6-19(18)34;1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-4-14(3)27-20-9-13(2)17(10-26-20)22-21(25(33)30-15-5-6-16(30)8-7-15)29-24(35-22)23(32)28-18-11-34-12-19(18)31;1-5-14(3)26-19-9-13(2)16(10-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(34-21)22(31)27-17-11-33-12-18(17)30;1-6-14(3)25-18-10-13(2)17(11-24-18)20-19(23(31)28-9-7-8-16(28)5)27-22(32-20)21(30)26-15(4)12-29/h9,11,14-16,18-19,34H,4-8,10,12H2,1-3H3,(H,29,30)(H,31,35);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9-10,14-16,18-19,31H,4-8,11-12H2,1-3H3,(H,26,27)(H,28,32);9-10,14-15,17-18,30H,5-8,11-12H2,1-4H3,(H,25,26)(H,27,31);10-11,14-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-,15-,18+,19-;14-,15-,16-;14-,15?,16?,18-,19-;14-,15-,17-,18-;14-,15+,16-/m00100/s1
InChIKeyAIMCMLYTUIJIPS-IFDLNBAASA-N
XLogP18.00
TPSA555.71 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.18
LogP ≤ 518.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-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-[(2S)-3-[2-[[5-[6-(tert-butylamino)-4-(trifluoromethyl)pyridin-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carbonyl]amino]-3-hydroxy-2-methylpropyl]-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-(trifluoromethyl)pyridin-3-yl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
CID 132071867
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
5-[6-(tert-butylamino)-4-(trifluoromethyl)pyridin-3-yl]-N-[1-[(2S)-1-[5-[6-(tert-butylamino)-4-(trifluoromethyl)pyridin-3-yl]-2-[[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamoyl]-1,3-thiazole-4-carbonyl]-2-methylpyrrolidin-3-yl]-3-hydroxy-2-methylpropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 132072068
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

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide (CID 157125696) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is AIMCMLYTUIJIPS-IFDLNBAASA-N. The full InChI is InChI=1S/C26H33F2N5O3S.C26H35F2N5O3S.C25H33N5O4S.C24H33N5O4S.C23H33N5O3S/c1-13-9-20(30-15(3)16-7-8-16)29-11-17(13)22-21(25(36)33-12-26(27,28)10-14(33)2)32-24(37-22)23(35)31-18-5-4-6-19(18)34;1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-4-14(3)27-20-9-13(2)17(10-26-20)22-21(25(33)30-15-5-6-16(30)8-7-15)29-24(35-22)23(32)28-18-11-34-12-19(18)31;1-5-14(3)26-19-9-13(2)16(10-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(34-21)22(31)27-17-11-33-12-18(17)30;1-6-14(3)25-18-10-13(2)17(11-24-18)20-19(23(31)28-9-7-8-16(28)5)27-22(32-20)21(30)26-15(4)12-29/h9,11,14-16,18-19,34H,4-8,10,12H2,1-3H3,(H,29,30)(H,31,35);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9-10,14-16,18-19,31H,4-8,11-12H2,1-3H3,(H,26,27)(H,28,32);9-10,14-15,17-18,30H,5-8,11-12H2,1-4H3,(H,25,26)(H,27,31);10-11,14-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-,15-,18+,19-;14-,15-,16-;14-,15?,16?,18-,19-;14-,15-,17-,18-;14-,15+,16-/m00100/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 2516.18 g/mol, XLogP of 18.00, 37 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157125696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).