4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C148H196F6N30O21S7 — CID 157075949

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)N[C@@H]2COC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.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
InChIInChI=1S/C27H37N5O3S.C26H35F2N5O3S.C25H31F2N5O4S.C24H33N5O4S2.C23H29F2N5O4S.C23H31N5O3S/c1-15-13-20(31-27(5)11-6-12-27)28-14-19(15)22-21(25(34)32-17-7-8-18(32)10-9-17)30-24(36-22)23(33)29-16(2)26(3,4)35;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;1-13-7-18(31-24(3)5-4-6-24)28-9-15(13)20-19(23(35)32-12-25(26,27)8-14(32)2)30-22(37-20)21(34)29-16-10-36-11-17(16)33;1-14(2)26-19-12-15(3)18(13-25-19)21-20(24(31)29-9-5-6-16(29)4)28-23(34-21)22(30)27-17-7-10-35(32,33)11-8-17;1-11(2)27-17-5-12(3)14(7-26-17)19-18(22(33)30-10-23(24,25)6-13(30)4)29-21(35-19)20(32)28-15-8-34-9-16(15)31;1-12(2)25-18-8-13(3)17(11-24-18)20-19(23(31)28-7-5-6-14(28)4)27-22(32-20)21(30)26-15-9-16(29)10-15/h13-14,16-18,35H,6-12H2,1-5H3,(H,28,31)(H,29,33);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);7,9,14,16-17,33H,4-6,8,10-12H2,1-3H3,(H,28,31)(H,29,34);12-14,16-17H,5-11H2,1-4H3,(H,25,26)(H,27,30);5,7,11,13,15-16,31H,6,8-10H2,1-4H3,(H,26,27)(H,28,32);8,11-12,14-16,29H,5-7,9-10H2,1-4H3,(H,24,25)(H,26,30)/t16-,17?,18?;14-,15-,16+;14-,16+,17-;16-;13-,15-,16-;14-,15?,16?/m000000/s1
InChIKeyACZASOVIZGIUJF-UPXFZBDTSA-N
MW3069.84 g/mol
LogP21.40
Rot. Bonds39

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

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 157075949) has the molecular formula C148H196F6N30O21S7 and a molecular weight of 3069.84 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-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-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID157075949
Molecular FormulaC148H196F6N30O21S7
Molecular Weight3069.84 g/mol
Exact Mass3067.31
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)N[C@@H]2COC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.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
InChIInChI=1S/C27H37N5O3S.C26H35F2N5O3S.C25H31F2N5O4S.C24H33N5O4S2.C23H29F2N5O4S.C23H31N5O3S/c1-15-13-20(31-27(5)11-6-12-27)28-14-19(15)22-21(25(34)32-17-7-8-18(32)10-9-17)30-24(36-22)23(33)29-16(2)26(3,4)35;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;1-13-7-18(31-24(3)5-4-6-24)28-9-15(13)20-19(23(35)32-12-25(26,27)8-14(32)2)30-22(37-20)21(34)29-16-10-36-11-17(16)33;1-14(2)26-19-12-15(3)18(13-25-19)21-20(24(31)29-9-5-6-16(29)4)28-23(34-21)22(30)27-17-7-10-35(32,33)11-8-17;1-11(2)27-17-5-12(3)14(7-26-17)19-18(22(33)30-10-23(24,25)6-13(30)4)29-21(35-19)20(32)28-15-8-34-9-16(15)31;1-12(2)25-18-8-13(3)17(11-24-18)20-19(23(31)28-7-5-6-14(28)4)27-22(32-20)21(30)26-15-9-16(29)10-15/h13-14,16-18,35H,6-12H2,1-5H3,(H,28,31)(H,29,33);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);7,9,14,16-17,33H,4-6,8,10-12H2,1-3H3,(H,28,31)(H,29,34);12-14,16-17H,5-11H2,1-4H3,(H,25,26)(H,27,30);5,7,11,13,15-16,31H,6,8-10H2,1-4H3,(H,26,27)(H,28,32);8,11-12,14-16,29H,5-7,9-10H2,1-4H3,(H,24,25)(H,26,30)/t16-,17?,18?;14-,15-,16+;14-,16+,17-;16-;13-,15-,16-;14-,15?,16?/m000000/s1
InChIKeyACZASOVIZGIUJF-UPXFZBDTSA-N
XLogP21.40
TPSA677.07 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003069.84
LogP ≤ 521.40
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-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-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-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-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 157075949) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-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-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-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-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2(C)CCC2)ncc1-c1sc(C(=O)N[C@@H]2COC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.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.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ACZASOVIZGIUJF-UPXFZBDTSA-N. The full InChI is InChI=1S/C27H37N5O3S.C26H35F2N5O3S.C25H31F2N5O4S.C24H33N5O4S2.C23H29F2N5O4S.C23H31N5O3S/c1-15-13-20(31-27(5)11-6-12-27)28-14-19(15)22-21(25(34)32-17-7-8-18(32)10-9-17)30-24(36-22)23(33)29-16(2)26(3,4)35;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;1-13-7-18(31-24(3)5-4-6-24)28-9-15(13)20-19(23(35)32-12-25(26,27)8-14(32)2)30-22(37-20)21(34)29-16-10-36-11-17(16)33;1-14(2)26-19-12-15(3)18(13-25-19)21-20(24(31)29-9-5-6-16(29)4)28-23(34-21)22(30)27-17-7-10-35(32,33)11-8-17;1-11(2)27-17-5-12(3)14(7-26-17)19-18(22(33)30-10-23(24,25)6-13(30)4)29-21(35-19)20(32)28-15-8-34-9-16(15)31;1-12(2)25-18-8-13(3)17(11-24-18)20-19(23(31)28-7-5-6-14(28)4)27-22(32-20)21(30)26-15-9-16(29)10-15/h13-14,16-18,35H,6-12H2,1-5H3,(H,28,31)(H,29,33);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);7,9,14,16-17,33H,4-6,8,10-12H2,1-3H3,(H,28,31)(H,29,34);12-14,16-17H,5-11H2,1-4H3,(H,25,26)(H,27,30);5,7,11,13,15-16,31H,6,8-10H2,1-4H3,(H,26,27)(H,28,32);8,11-12,14-16,29H,5-7,9-10H2,1-4H3,(H,24,25)(H,26,30)/t16-,17?,18?;14-,15-,16+;14-,16+,17-;16-;13-,15-,16-;14-,15?,16?/m000000/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3069.84 g/mol, XLogP of 21.40, 39 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157075949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).