cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C96H119F2N31O13 — CID 158433871

IUPACcis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1nc(OCC2(C#N)CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(C)(F)F.COC[C@@H](C)Oc1nc(C(=O)C[C@H](C)CO)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)NC2COC2)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.C[C@@H](CC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3[nH]nc4ncncc34)CC2)n1)C(C)(C)O
InChIInChI=1S/C25H31N9O3.C24H27F2N9O2.C24H30N6O4.C23H31N7O4/c1-14(25(2,3)36)8-19(35)22-29-23(31-24(30-22)37-12-17-9-16(17)10-26)34-6-4-15(5-7-34)20-18-11-27-13-28-21(18)33-32-20;1-14(23(2,25)26)29-20(36)19-30-21(32-22(31-19)37-13-24(12-27)7-8-24)35-10-5-15(6-11-35)17-16-4-3-9-28-18(16)34-33-17;1-15(12-32-2)34-24-28-19(23(31)27-17-13-33-14-17)10-21(29-24)30-8-5-16(6-9-30)22-18-4-3-7-25-20(18)11-26-22;1-14(12-31)11-18(32)21-25-22(27-23(26-21)34-15(2)13-33-3)30-9-6-16(7-10-30)19-17-5-4-8-24-20(17)29-28-19/h11,13-17,36H,4-9,12H2,1-3H3,(H,27,28,32,33);3-4,9,14-15H,5-8,10-11,13H2,1-2H3,(H,29,36)(H,28,33,34);3-4,7,10,15-17H,5-6,8-9,11-14H2,1-2H3,(H,27,31);4-5,8,14-16,31H,6-7,9-13H2,1-3H3,(H,24,28,29)/t14-,16-,17+;;15-;14-,15+/m0.10/s1
InChIKeyHBZHYLCHXJAVKN-MBSRYQDPSA-N
MW1953.21 g/mol
LogP9.20
Rot. Bonds35

About cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide

cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 158433871) has the molecular formula C96H119F2N31O13 and a molecular weight of 1953.21 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID158433871
Molecular FormulaC96H119F2N31O13
Molecular Weight1953.21 g/mol
Exact Mass1951.96
IUPAC Namecis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1nc(OCC2(C#N)CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(C)(F)F.COC[C@@H](C)Oc1nc(C(=O)C[C@H](C)CO)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)NC2COC2)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.C[C@@H](CC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3[nH]nc4ncncc34)CC2)n1)C(C)(C)O
InChIInChI=1S/C25H31N9O3.C24H27F2N9O2.C24H30N6O4.C23H31N7O4/c1-14(25(2,3)36)8-19(35)22-29-23(31-24(30-22)37-12-17-9-16(17)10-26)34-6-4-15(5-7-34)20-18-11-27-13-28-21(18)33-32-20;1-14(23(2,25)26)29-20(36)19-30-21(32-22(31-19)37-13-24(12-27)7-8-24)35-10-5-15(6-11-35)17-16-4-3-9-28-18(16)34-33-17;1-15(12-32-2)34-24-28-19(23(31)27-17-13-33-14-17)10-21(29-24)30-8-5-16(6-9-30)22-18-4-3-7-25-20(18)11-26-22;1-14(12-31)11-18(32)21-25-22(27-23(26-21)34-15(2)13-33-3)30-9-6-16(7-10-30)19-17-5-4-8-24-20(17)29-28-19/h11,13-17,36H,4-9,12H2,1-3H3,(H,27,28,32,33);3-4,9,14-15H,5-8,10-11,13H2,1-2H3,(H,29,36)(H,28,33,34);3-4,7,10,15-17H,5-6,8-9,11-14H2,1-2H3,(H,27,31);4-5,8,14-16,31H,6-7,9-13H2,1-3H3,(H,24,28,29)/t14-,16-,17+;;15-;14-,15+/m0.10/s1
InChIKeyHBZHYLCHXJAVKN-MBSRYQDPSA-N
XLogP9.20
TPSA562.59 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001953.21
LogP ≤ 59.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9593097, Example 428
CID 121409140
US9593097, Example 440
CID 121409310
US9593097, Example 449
CID 121409366
US9593097, Example 42
CID 121409022
US9593097, Example 398
CID 121409113
US9593097, Example 44
CID 121409437
US9593097, Example 394
CID 121409587
US9593097, Example 227
CID 121409257
US9593097, Example 397
CID 121409260
US9593097, Example 393
CID 121409331
3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-tert-butyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 157105043
cis-(1R,2S)-2-[[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[(1-cyanocyclopropyl)methoxy]-N-(oxolan-2-ylmethyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2-methylsulfonylethyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 157154996

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 158433871) is cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide is CC(NC(=O)c1nc(OCC2(C#N)CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(C)(F)F.COC[C@@H](C)Oc1nc(C(=O)C[C@H](C)CO)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)NC2COC2)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.C[C@@H](CC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3[nH]nc4ncncc34)CC2)n1)C(C)(C)O.
What is the InChIKey of cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is HBZHYLCHXJAVKN-MBSRYQDPSA-N. The full InChI is InChI=1S/C25H31N9O3.C24H27F2N9O2.C24H30N6O4.C23H31N7O4/c1-14(25(2,3)36)8-19(35)22-29-23(31-24(30-22)37-12-17-9-16(17)10-26)34-6-4-15(5-7-34)20-18-11-27-13-28-21(18)33-32-20;1-14(23(2,25)26)29-20(36)19-30-21(32-22(31-19)37-13-24(12-27)7-8-24)35-10-5-15(6-11-35)17-16-4-3-9-28-18(16)34-33-17;1-15(12-32-2)34-24-28-19(23(31)27-17-13-33-14-17)10-21(29-24)30-8-5-16(6-9-30)22-18-4-3-7-25-20(18)11-26-22;1-14(12-31)11-18(32)21-25-22(27-23(26-21)34-15(2)13-33-3)30-9-6-16(7-10-30)19-17-5-4-8-24-20(17)29-28-19/h11,13-17,36H,4-9,12H2,1-3H3,(H,27,28,32,33);3-4,9,14-15H,5-8,10-11,13H2,1-2H3,(H,29,36)(H,28,33,34);3-4,7,10,15-17H,5-6,8-9,11-14H2,1-2H3,(H,27,31);4-5,8,14-16,31H,6-7,9-13H2,1-3H3,(H,24,28,29)/t14-,16-,17+;;15-;14-,15+/m0.10/s1.
What are the key properties of cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 1953.21 g/mol, XLogP of 9.20, 35 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[4-[(3S)-4-hydroxy-3,4-dimethylpentanoyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[(1-cyanocyclopropyl)methoxy]-N-(3,3-difluorobutan-2-yl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-4-hydroxy-1-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]-3-methylbutan-1-one;2-[(2R)-1-methoxypropan-2-yl]oxy-N-(oxetan-3-yl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 158433871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).