1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate

C135H180N30O14 — CID 157351485

IUPAC1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCNCC(O)COc1cccc(-c2nc(-c3c(C)n[nH]c3C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccnc(C(=O)N(C)C)c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3cnc4ncnn4c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C3CCN(C(=O)OC)CC3)cc(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C29H38N6O3.C28H41N5O4.C26H32N8O2.C26H36N6O2.C26H33N5O3/c1-30-18-23(36)19-38-24-12-8-9-21(15-24)28-32-25(20-13-14-31-26(16-20)29(37)34(2)3)17-27(33-28)35(4)22-10-6-5-7-11-22;1-29-18-23(34)19-37-24-11-7-8-21(16-24)27-30-25(20-12-14-33(15-13-20)28(35)36-3)17-26(31-27)32(2)22-9-5-4-6-10-22;1-27-14-21(35)16-36-22-10-6-7-18(11-22)25-31-23(19-13-28-26-29-17-30-34(26)15-19)12-24(32-25)33(2)20-8-4-3-5-9-20;1-17-25(18(2)31-30-17)23-14-24(32(4)20-10-6-5-7-11-20)29-26(28-23)19-9-8-12-22(13-19)34-16-21(33)15-27-3;1-18-24(19-7-11-28-12-8-19)29-25(30-26(18)31(3)21-9-13-33-14-10-21)20-5-4-6-23(15-20)34-17-22(32)16-27-2/h8-9,12-17,22-23,30,36H,5-7,10-11,18-19H2,1-4H3;7-8,11,16-17,20,22-23,29,34H,4-6,9-10,12-15,18-19H2,1-3H3;6-7,10-13,15,17,20-21,27,35H,3-5,8-9,14,16H2,1-2H3;8-9,12-14,20-21,27,33H,5-7,10-11,15-16H2,1-4H3,(H,30,31);4-8,11-12,15,21-22,27,32H,9-10,13-14,16-17H2,1-3H3
InChIKeyBHOXDZVDZNDQNR-UHFFFAOYSA-N
MW2447.12 g/mol
LogP17.40
Rot. Bonds46

About 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate

1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 157351485) has the molecular formula C135H180N30O14 and a molecular weight of 2447.12 g/mol. Its IUPAC name is 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID157351485
Molecular FormulaC135H180N30O14
Molecular Weight2447.12 g/mol
Exact Mass2445.43
IUPAC Name1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCNCC(O)COc1cccc(-c2nc(-c3c(C)n[nH]c3C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccnc(C(=O)N(C)C)c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3cnc4ncnn4c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C3CCN(C(=O)OC)CC3)cc(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C29H38N6O3.C28H41N5O4.C26H32N8O2.C26H36N6O2.C26H33N5O3/c1-30-18-23(36)19-38-24-12-8-9-21(15-24)28-32-25(20-13-14-31-26(16-20)29(37)34(2)3)17-27(33-28)35(4)22-10-6-5-7-11-22;1-29-18-23(34)19-37-24-11-7-8-21(16-24)27-30-25(20-12-14-33(15-13-20)28(35)36-3)17-26(31-27)32(2)22-9-5-4-6-10-22;1-27-14-21(35)16-36-22-10-6-7-18(11-22)25-31-23(19-13-28-26-29-17-30-34(26)15-19)12-24(32-25)33(2)20-8-4-3-5-9-20;1-17-25(18(2)31-30-17)23-14-24(32(4)20-10-6-5-7-11-20)29-26(28-23)19-9-8-12-22(13-19)34-16-21(33)15-27-3;1-18-24(19-7-11-28-12-8-19)29-25(30-26(18)31(3)21-9-13-33-14-10-21)20-5-4-6-23(15-20)34-17-22(32)16-27-2/h8-9,12-17,22-23,30,36H,5-7,10-11,18-19H2,1-4H3;7-8,11,16-17,20,22-23,29,34H,4-6,9-10,12-15,18-19H2,1-3H3;6-7,10-13,15,17,20-21,27,35H,3-5,8-9,14,16H2,1-2H3;8-9,12-14,20-21,27,33H,5-7,10-11,15-16H2,1-4H3,(H,30,31);4-8,11-12,15,21-22,27,32H,9-10,13-14,16-17H2,1-3H3
InChIKeyBHOXDZVDZNDQNR-UHFFFAOYSA-N
XLogP17.40
TPSA509.17 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds46
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002447.12
LogP ≤ 517.40
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate 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

[3-[1-[3-amino-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]piperidin-4-yl]oxy-5-fluorophenyl]-morpholin-4-ylmethanone
CID 67632182
3-[1-[3-amino-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]piperidin-4-yl]oxy-5-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 67979110
3-[1-[3-cyano-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]piperidin-4-yl]oxy-5-fluoro-N-(2-morpholin-4-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 158392190
N-[4-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]butyl]-1-methylpyrazole-3-carboxamide
CID 85471644
N-[5-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]pentyl]-1-methylpyrazole-3-carboxamide
CID 85471646
N-[6-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]hexyl]-1-methylpyrazole-3-carboxamide
CID 85471769
N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]-1-methylpyrazole-3-carboxamide
CID 85473452
N-[3-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]propyl]-1-methylpyrazole-3-carboxamide
CID 85473454
1-Ethyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;1-[4-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 87605579
1-ethyl-1-[4-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N-(methylcarbamoyl)anilino]-3-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 87605710
1-[4-[1-[1-(2-Methoxybenzoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 87606326
N-[4-[4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-N-methyl-1H-indole-2-carboxamide;3-morpholin-4-yl-1-(2-morpholin-4-yl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 88079681

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate (CID 157351485) is 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate is CNCC(O)COc1cccc(-c2nc(-c3c(C)n[nH]c3C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccnc(C(=O)N(C)C)c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3cnc4ncnn4c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C3CCN(C(=O)OC)CC3)cc(N(C)C3CCCCC3)n2)c1.
What is the InChIKey of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is BHOXDZVDZNDQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O3.C28H41N5O4.C26H32N8O2.C26H36N6O2.C26H33N5O3/c1-30-18-23(36)19-38-24-12-8-9-21(15-24)28-32-25(20-13-14-31-26(16-20)29(37)34(2)3)17-27(33-28)35(4)22-10-6-5-7-11-22;1-29-18-23(34)19-37-24-11-7-8-21(16-24)27-30-25(20-12-14-33(15-13-20)28(35)36-3)17-26(31-27)32(2)22-9-5-4-6-10-22;1-27-14-21(35)16-36-22-10-6-7-18(11-22)25-31-23(19-13-28-26-29-17-30-34(26)15-19)12-24(32-25)33(2)20-8-4-3-5-9-20;1-17-25(18(2)31-30-17)23-14-24(32(4)20-10-6-5-7-11-20)29-26(28-23)19-9-8-12-22(13-19)34-16-21(33)15-27-3;1-18-24(19-7-11-28-12-8-19)29-25(30-26(18)31(3)21-9-13-33-14-10-21)20-5-4-6-23(15-20)34-17-22(32)16-27-2/h8-9,12-17,22-23,30,36H,5-7,10-11,18-19H2,1-4H3;7-8,11,16-17,20,22-23,29,34H,4-6,9-10,12-15,18-19H2,1-3H3;6-7,10-13,15,17,20-21,27,35H,3-5,8-9,14,16H2,1-2H3;8-9,12-14,20-21,27,33H,5-7,10-11,15-16H2,1-4H3,(H,30,31);4-8,11-12,15,21-22,27,32H,9-10,13-14,16-17H2,1-3H3.
What are the key properties of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate?
1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 2447.12 g/mol, XLogP of 17.40, 46 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[3-[4-[cyclohexyl(methyl)amino]-6-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157351485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).