4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C100H119F6N29O14 — CID 157177205

IUPAC4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCC1CCC(COc2nc(C(=O)N[C@H](C)CO)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)O1.COC[C@@H](C)Oc1nc(C(=O)N[C@H]2CCC[C@H]2O)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)NCC(F)(F)F)n4)CC3)c12.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)N[C@@H](C)C(F)(F)F)n4)CC3)c12
InChIInChI=1S/C26H34N6O4.C25H27F3N8O3.C25H33N7O4.C24H25F3N8O3/c1-16(15-35-2)36-26-30-20(25(34)29-19-6-3-7-22(19)33)13-23(31-26)32-11-8-17(9-12-32)24-18-5-4-10-27-21(18)14-28-24;1-13(25(26,27)28)32-22(37)21-33-23(35-24(34-21)39-12-16-9-15(16)10-29)36-7-4-14(5-8-36)17-11-31-20-19(17)18(38-2)3-6-30-20;1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22;1-37-17-2-5-29-19-18(17)16(10-30-19)13-3-6-35(7-4-13)22-32-20(21(36)31-12-24(25,26)27)33-23(34-22)38-11-15-8-14(15)9-28/h4-5,10,13,16-17,19,22,33H,3,6-9,11-12,14-15H2,1-2H3,(H,29,34);3,6,11,13-16H,4-5,7-9,12H2,1-2H3,(H,30,31)(H,32,37);3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31);2,5,10,13-15H,3-4,6-8,11-12H2,1H3,(H,29,30)(H,31,36)/t16-,19+,22-;13-,15-,16+;15-,16?,18?;14-,15+/m1010/s1
InChIKeyAODOBIRMBYDPLR-AGNBUSLFSA-N
MW2065.23 g/mol
LogP10.67
Rot. Bonds32

About 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 157177205) has the molecular formula C100H119F6N29O14 and a molecular weight of 2065.23 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID157177205
Molecular FormulaC100H119F6N29O14
Molecular Weight2065.23 g/mol
Exact Mass2063.94
IUPAC Name4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCC1CCC(COc2nc(C(=O)N[C@H](C)CO)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)O1.COC[C@@H](C)Oc1nc(C(=O)N[C@H]2CCC[C@H]2O)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)NCC(F)(F)F)n4)CC3)c12.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)N[C@@H](C)C(F)(F)F)n4)CC3)c12
InChIInChI=1S/C26H34N6O4.C25H27F3N8O3.C25H33N7O4.C24H25F3N8O3/c1-16(15-35-2)36-26-30-20(25(34)29-19-6-3-7-22(19)33)13-23(31-26)32-11-8-17(9-12-32)24-18-5-4-10-27-21(18)14-28-24;1-13(25(26,27)28)32-22(37)21-33-23(35-24(34-21)39-12-16-9-15(16)10-29)36-7-4-14(5-8-36)17-11-31-20-19(17)18(38-2)3-6-30-20;1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22;1-37-17-2-5-29-19-18(17)16(10-30-19)13-3-6-35(7-4-13)22-32-20(21(36)31-12-24(25,26)27)33-23(34-22)38-11-15-8-14(15)9-28/h4-5,10,13,16-17,19,22,33H,3,6-9,11-12,14-15H2,1-2H3,(H,29,34);3,6,11,13-16H,4-5,7-9,12H2,1-2H3,(H,30,31)(H,32,37);3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31);2,5,10,13-15H,3-4,6-8,11-12H2,1H3,(H,29,30)(H,31,36)/t16-,19+,22-;13-,15-,16+;15-,16?,18?;14-,15+/m1010/s1
InChIKeyAODOBIRMBYDPLR-AGNBUSLFSA-N
XLogP10.67
TPSA544.32 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002065.23
LogP ≤ 510.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

US9593097, Example 369
CID 121409045
US9593097, Example 467
CID 121409271
US9593097, Example 424
CID 121409426
US9593097, Example 481
CID 121409460
US9593097, Example 489
CID 121409515
US9593097, Example 492
CID 121409551
US9593097, Example 423
CID 121409596
US9593097, Example 488
CID 121409631
US9593097, Example 493
CID 121409261
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-N-[2-[3-[1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]pyrimidin-4-yl]piperidin-4-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
CID 126683900
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-4-[3-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-[[2-[3-[[4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-cyclopropylmorpholin-4-yl]-hydroxymethyl]pyrimidin-4-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]-3-hydroxy-3-methylbutan-2-yl]-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazine-2-carboxamide
CID 126683943
1-[4-[(2R,4S)-4-cyano-1-[4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carbonyl]pyrrolidin-2-yl]-2,5-difluorophenyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-[[5-fluoro-2-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 135208496

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 157177205) is 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is CC1CCC(COc2nc(C(=O)N[C@H](C)CO)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)O1.COC[C@@H](C)Oc1nc(C(=O)N[C@H]2CCC[C@H]2O)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)NCC(F)(F)F)n4)CC3)c12.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)N[C@@H](C)C(F)(F)F)n4)CC3)c12.
What is the InChIKey of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is AODOBIRMBYDPLR-AGNBUSLFSA-N. The full InChI is InChI=1S/C26H34N6O4.C25H27F3N8O3.C25H33N7O4.C24H25F3N8O3/c1-16(15-35-2)36-26-30-20(25(34)29-19-6-3-7-22(19)33)13-23(31-26)32-11-8-17(9-12-32)24-18-5-4-10-27-21(18)14-28-24;1-13(25(26,27)28)32-22(37)21-33-23(35-24(34-21)39-12-16-9-15(16)10-29)36-7-4-14(5-8-36)17-11-31-20-19(17)18(38-2)3-6-30-20;1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22;1-37-17-2-5-29-19-18(17)16(10-30-19)13-3-6-35(7-4-13)22-32-20(21(36)31-12-24(25,26)27)33-23(34-22)38-11-15-8-14(15)9-28/h4-5,10,13,16-17,19,22,33H,3,6-9,11-12,14-15H2,1-2H3,(H,29,34);3,6,11,13-16H,4-5,7-9,12H2,1-2H3,(H,30,31)(H,32,37);3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31);2,5,10,13-15H,3-4,6-8,11-12H2,1H3,(H,29,30)(H,31,36)/t16-,19+,22-;13-,15-,16+;15-,16?,18?;14-,15+/m1010/s1.
What are the key properties of 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 2065.23 g/mol, XLogP of 10.67, 32 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyloxolan-2-yl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 157177205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).