5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

C96H126F8N20O12S4 — CID 161286485

IUPAC5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCOCC2)nc1C(=O)N1CC(F)(F)C[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/C25H33F2N5O3S.2C24H31F2N5O3S.C23H31F2N5O3S/c1-5-14(3)29-19-9-13(2)16(11-28-19)21-20(24(35)32-12-25(26,27)10-15(32)4)31-23(36-21)22(34)30-17-7-6-8-18(17)33;1-13(2)28-18-9-14(3)17(11-27-18)20-19(23(33)31-12-24(25,26)10-15(31)4)30-22(35-20)21(32)29-16-5-7-34-8-6-16;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;1-6-13(3)27-17-7-12(2)16(9-26-17)19-18(22(33)30-11-23(24,25)8-15(30)5)29-21(34-19)20(32)28-14(4)10-31/h9,11,14-15,17-18,33H,5-8,10,12H2,1-4H3,(H,28,29)(H,30,34);9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,27,28)(H,29,32);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33);7,9,13-15,31H,6,8,10-11H2,1-5H3,(H,26,27)(H,28,32)/t14-,15+,17+,18+;15-;14-,16-,17-;13-,14-,15+/m1001/s1
InChIKeyVFUBHAQLRSARDS-GABZTYGWSA-N
MW2032.44 g/mol
LogP15.90
Rot. Bonds27

About 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 161286485) has the molecular formula C96H126F8N20O12S4 and a molecular weight of 2032.44 g/mol. Its IUPAC name is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
PubChem CID161286485
Molecular FormulaC96H126F8N20O12S4
Molecular Weight2032.44 g/mol
Exact Mass2030.86
IUPAC Name5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCOCC2)nc1C(=O)N1CC(F)(F)C[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/C25H33F2N5O3S.2C24H31F2N5O3S.C23H31F2N5O3S/c1-5-14(3)29-19-9-13(2)16(11-28-19)21-20(24(35)32-12-25(26,27)10-15(32)4)31-23(36-21)22(34)30-17-7-6-8-18(17)33;1-13(2)28-18-9-14(3)17(11-27-18)20-19(23(33)31-12-24(25,26)10-15(31)4)30-22(35-20)21(32)29-16-5-7-34-8-6-16;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;1-6-13(3)27-17-7-12(2)16(9-26-17)19-18(22(33)30-11-23(24,25)8-15(30)5)29-21(34-19)20(32)28-14(4)10-31/h9,11,14-15,17-18,33H,5-8,10,12H2,1-4H3,(H,28,29)(H,30,34);9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,27,28)(H,29,32);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33);7,9,13-15,31H,6,8,10-11H2,1-5H3,(H,26,27)(H,28,32)/t14-,15+,17+,18+;15-;14-,16-,17-;13-,14-,15+/m1001/s1
InChIKeyVFUBHAQLRSARDS-GABZTYGWSA-N
XLogP15.90
TPSA418.80 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002032.44
LogP ≤ 515.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 161286485) is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCOCC2)nc1C(=O)N1CC(F)(F)C[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 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is VFUBHAQLRSARDS-GABZTYGWSA-N. The full InChI is InChI=1S/C25H33F2N5O3S.2C24H31F2N5O3S.C23H31F2N5O3S/c1-5-14(3)29-19-9-13(2)16(11-28-19)21-20(24(35)32-12-25(26,27)10-15(32)4)31-23(36-21)22(34)30-17-7-6-8-18(17)33;1-13(2)28-18-9-14(3)17(11-27-18)20-19(23(33)31-12-24(25,26)10-15(31)4)30-22(35-20)21(32)29-16-5-7-34-8-6-16;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;1-6-13(3)27-17-7-12(2)16(9-26-17)19-18(22(33)30-11-23(24,25)8-15(30)5)29-21(34-19)20(32)28-14(4)10-31/h9,11,14-15,17-18,33H,5-8,10,12H2,1-4H3,(H,28,29)(H,30,34);9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,27,28)(H,29,32);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33);7,9,13-15,31H,6,8,10-11H2,1-5H3,(H,26,27)(H,28,32)/t14-,15+,17+,18+;15-;14-,16-,17-;13-,14-,15+/m1001/s1.
What are the key properties of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 2032.44 g/mol, XLogP of 15.90, 27 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-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;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 161286485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).