1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

C100H119BCl9N31O12 — CID 159947581

IUPAC1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
SMILESCNC(=O)Nc1ccc(-c2nc(Cl)nc3c2cnn3C2CCC(O)CC2)cc1.CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCC(O)CC2)cc1.CNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1
InChIInChI=1S/C23H29N7O3.C19H21ClN6O2.C14H21BN2O3.4C11H12Cl2N4O/c1-24-23(32)26-16-4-2-15(3-5-16)20-19-14-25-30(17-6-8-18(31)9-7-17)21(19)28-22(27-20)29-10-12-33-13-11-29;1-21-19(28)23-12-4-2-11(3-5-12)16-15-10-22-26(17(15)25-18(20)24-16)13-6-8-14(27)9-7-13;1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5;4*12-9-8-5-14-17(10(8)16-11(13)15-9)6-1-3-7(18)4-2-6/h2-5,14,17-18,31H,6-13H2,1H3,(H2,24,26,32);2-5,10,13-14,27H,6-9H2,1H3,(H2,21,23,28);6-9H,1-5H3,(H2,16,17,18);4*5-7,18H,1-4H2
InChIKeyOBRMNCIFCHAOGK-UHFFFAOYSA-N
MW2277.15 g/mol
LogP18.10
Rot. Bonds13

About 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (PubChem CID 159947581) has the molecular formula C100H119BCl9N31O12 and a molecular weight of 2277.15 g/mol. Its IUPAC name is 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
PubChem CID159947581
Molecular FormulaC100H119BCl9N31O12
Molecular Weight2277.15 g/mol
Exact Mass2271.69
IUPAC Name1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
SMILESCNC(=O)Nc1ccc(-c2nc(Cl)nc3c2cnn3C2CCC(O)CC2)cc1.CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCC(O)CC2)cc1.CNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1
InChIInChI=1S/C23H29N7O3.C19H21ClN6O2.C14H21BN2O3.4C11H12Cl2N4O/c1-24-23(32)26-16-4-2-15(3-5-16)20-19-14-25-30(17-6-8-18(31)9-7-17)21(19)28-22(27-20)29-10-12-33-13-11-29;1-21-19(28)23-12-4-2-11(3-5-12)16-15-10-22-26(17(15)25-18(20)24-16)13-6-8-14(27)9-7-13;1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5;4*12-9-8-5-14-17(10(8)16-11(13)15-9)6-1-3-7(18)4-2-6/h2-5,14,17-18,31H,6-13H2,1H3,(H2,24,26,32);2-5,10,13-14,27H,6-9H2,1H3,(H2,21,23,28);6-9H,1-5H3,(H2,16,17,18);4*5-7,18H,1-4H2
InChIKeyOBRMNCIFCHAOGK-UHFFFAOYSA-N
XLogP18.10
TPSA537.30 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002277.15
LogP ≤ 518.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea with MolForge

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Related Compounds

4-[6-chloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[4-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]aniline;bis(N-[4-[4-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 157663798
(2S)-N-[3-[2-(1-amino-3-methyliminoprop-1-en-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide;4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;(2R)-2-methyloxane;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
CID 167620456
tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
CID 157129731
tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 157144373
1-[4-(6-Chloro-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]-3-methylurea;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine;1-methyl-3-[4-(6-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]urea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;propan-2-ylhydrazine;2,4,6-trichloropyrimidine-5-carbaldehyde;hydrochloride
CID 157229398
4-[4-(6-chloro-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-ol;4-(6-chloro-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine;hydron;N-[4-[1-[1-(4-hydroxybutyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]acetamide;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 157386154
1-[4-[4-amino-1-(3-hydroxypropyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-[4-amino-1-[(3S)-oxolan-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 157665507
tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;(4-fluorophenyl)boronic acid;bis(4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride
CID 157734382
4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-[2-(methylamino)ethyl]urea;tert-butyl N-(2-aminoethyl)-N-methylcarbamate;tert-butyl N-[2-[[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]ethyl]carbamate;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tritium monohydride
CID 158167885
2-Aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 158460754
2-[4-[5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol;tert-butyl N-[(3S,4S)-8-[3-(6-chloro-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol;hydrochloride
CID 158522606
Benzyl 4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;benzyl 4-hydrazinylpiperidine-1-carboxylate;1-[4-[6-chloro-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-[1-(1-methylpiperidin-4-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]urea;1-methyl-3-[4-(6-morpholin-4-yl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]urea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;2,4,6-trichloropyrimidine-5-carbaldehyde;hydrochloride
CID 158537295

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea?
The IUPAC name of 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (CID 159947581) is 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea?
The canonical SMILES for 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea is CNC(=O)Nc1ccc(-c2nc(Cl)nc3c2cnn3C2CCC(O)CC2)cc1.CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCC(O)CC2)cc1.CNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.OC1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1.
What is the InChIKey of 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea?
The InChIKey is OBRMNCIFCHAOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3.C19H21ClN6O2.C14H21BN2O3.4C11H12Cl2N4O/c1-24-23(32)26-16-4-2-15(3-5-16)20-19-14-25-30(17-6-8-18(31)9-7-17)21(19)28-22(27-20)29-10-12-33-13-11-29;1-21-19(28)23-12-4-2-11(3-5-12)16-15-10-22-26(17(15)25-18(20)24-16)13-6-8-14(27)9-7-13;1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5;4*12-9-8-5-14-17(10(8)16-11(13)15-9)6-1-3-7(18)4-2-6/h2-5,14,17-18,31H,6-13H2,1H3,(H2,24,26,32);2-5,10,13-14,27H,6-9H2,1H3,(H2,21,23,28);6-9H,1-5H3,(H2,16,17,18);4*5-7,18H,1-4H2.
What are the key properties of 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea?
1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea has a molecular weight of 2277.15 g/mol, XLogP of 18.10, 13 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea is sourced from PubChem (CID 159947581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).