4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide

C123H166F6N26O16S6 — CID 159367758

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.C[C@H]1CCCN1C(O)c1nc(C(=O)NC2CC[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CN(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H35N5O3S.C25H33F2N5O3S.C25H35F2N5O3S.C24H31F2N5O3S.C23H32N6O4S2/c1-14-11-20(30-26(2,3)4)27-13-19(14)22-21(25(34)31-16-6-7-17(31)9-8-16)29-24(35-22)23(33)28-15-5-10-18(32)12-15;1-14-6-5-9-32(14)24(34)19-20(36-23(30-19)22(33)29-15-7-10-35-11-8-15)17-13-28-18(31-25(2,3)4)12-16(17)21(26)27;1-13-6-5-9-32(13)24(35)19-20(36-23(30-19)22(34)29-14-7-8-15(33)10-14)17-12-28-18(31-25(2,3)4)11-16(17)21(26)27;1-12(2)28-18-8-13(3)15(10-27-18)20-19(23(34)31-11-24(25,26)9-14(31)4)30-22(35-20)21(33)29-16-6-5-7-17(16)32;1-13(2)25-18-9-14(3)17(10-24-18)20-19(23(31)29-8-6-7-15(29)4)27-22(34-20)21(30)26-16-11-28(12-16)35(5,32)33/h11,13,15-18,32H,5-10,12H2,1-4H3,(H,27,30)(H,28,33);12-15,21H,5-11H2,1-4H3,(H,28,31)(H,29,33);11-15,21,24,33,35H,5-10H2,1-4H3,(H,28,31)(H,29,34);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33);9-10,13,15-16H,6-8,11-12H2,1-5H3,(H,24,25)(H,26,30)/t15-,16?,17?,18-;14-;13-,14?,15-,24?;14-,16-,17-;15-/m00000/s1
InChIKeyLJIRQZHDZHURFS-PKLAMWCHSA-N
MW2571.24 g/mol
LogP19.67
Rot. Bonds31

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 159367758) has the molecular formula C123H166F6N26O16S6 and a molecular weight of 2571.24 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID159367758
Molecular FormulaC123H166F6N26O16S6
Molecular Weight2571.24 g/mol
Exact Mass2569.12
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.C[C@H]1CCCN1C(O)c1nc(C(=O)NC2CC[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CN(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H35N5O3S.C25H33F2N5O3S.C25H35F2N5O3S.C24H31F2N5O3S.C23H32N6O4S2/c1-14-11-20(30-26(2,3)4)27-13-19(14)22-21(25(34)31-16-6-7-17(31)9-8-16)29-24(35-22)23(33)28-15-5-10-18(32)12-15;1-14-6-5-9-32(14)24(34)19-20(36-23(30-19)22(33)29-15-7-10-35-11-8-15)17-13-28-18(31-25(2,3)4)12-16(17)21(26)27;1-13-6-5-9-32(13)24(35)19-20(36-23(30-19)22(34)29-14-7-8-15(33)10-14)17-12-28-18(31-25(2,3)4)11-16(17)21(26)27;1-12(2)28-18-8-13(3)15(10-27-18)20-19(23(34)31-11-24(25,26)9-14(31)4)30-22(35-20)21(33)29-16-6-5-7-17(16)32;1-13(2)25-18-9-14(3)17(10-24-18)20-19(23(31)29-8-6-7-15(29)4)27-22(34-20)21(30)26-16-11-28(12-16)35(5,32)33/h11,13,15-18,32H,5-10,12H2,1-4H3,(H,27,30)(H,28,33);12-15,21H,5-11H2,1-4H3,(H,28,31)(H,29,33);11-15,21,24,33,35H,5-10H2,1-4H3,(H,28,31)(H,29,34);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33);9-10,13,15-16H,6-8,11-12H2,1-5H3,(H,24,25)(H,26,30)/t15-,16?,17?,18-;14-;13-,14?,15-,24?;14-,16-,17-;15-/m00000/s1
InChIKeyLJIRQZHDZHURFS-PKLAMWCHSA-N
XLogP19.67
TPSA546.56 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002571.24
LogP ≤ 519.67
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-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-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide (CID 159367758) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide is C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.C[C@H]1CCCN1C(O)c1nc(C(=O)NC2CC[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CN(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)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-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is LJIRQZHDZHURFS-PKLAMWCHSA-N. The full InChI is InChI=1S/C26H35N5O3S.C25H33F2N5O3S.C25H35F2N5O3S.C24H31F2N5O3S.C23H32N6O4S2/c1-14-11-20(30-26(2,3)4)27-13-19(14)22-21(25(34)31-16-6-7-17(31)9-8-16)29-24(35-22)23(33)28-15-5-10-18(32)12-15;1-14-6-5-9-32(14)24(34)19-20(36-23(30-19)22(33)29-15-7-10-35-11-8-15)17-13-28-18(31-25(2,3)4)12-16(17)21(26)27;1-13-6-5-9-32(13)24(35)19-20(36-23(30-19)22(34)29-14-7-8-15(33)10-14)17-12-28-18(31-25(2,3)4)11-16(17)21(26)27;1-12(2)28-18-8-13(3)15(10-27-18)20-19(23(34)31-11-24(25,26)9-14(31)4)30-22(35-20)21(33)29-16-6-5-7-17(16)32;1-13(2)25-18-9-14(3)17(10-24-18)20-19(23(31)29-8-6-7-15(29)4)27-22(34-20)21(30)26-16-11-28(12-16)35(5,32)33/h11,13,15-18,32H,5-10,12H2,1-4H3,(H,27,30)(H,28,33);12-15,21H,5-11H2,1-4H3,(H,28,31)(H,29,33);11-15,21,24,33,35H,5-10H2,1-4H3,(H,28,31)(H,29,34);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33);9-10,13,15-16H,6-8,11-12H2,1-5H3,(H,24,25)(H,26,30)/t15-,16?,17?,18-;14-;13-,14?,15-,24?;14-,16-,17-;15-/m00000/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 2571.24 g/mol, XLogP of 19.67, 31 rotatable bonds, 14 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-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159367758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).