N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide

C163H158N40O13S2 — CID 158632288

IUPACN-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide
SMILESNc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4[nH]3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cccc4cccnc34)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nc4ccccc4s3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nccc4ccccc34)cc1)nn2C1CCC(O)CC1
InChIInChI=1S/2C28H27N7O2.C27H27N7O2.C27H26N6O3.C27H26N6O2S.C26H25N7O2S/c29-26-23-25(34-35(27(23)33-16-32-26)20-10-12-21(36)13-11-20)19-8-6-17(7-9-19)15-31-28(37)22-5-1-3-18-4-2-14-30-24(18)22;29-26-23-24(34-35(27(23)33-16-32-26)20-9-11-21(36)12-10-20)19-7-5-17(6-8-19)15-31-28(37)25-22-4-2-1-3-18(22)13-14-30-25;28-25-23-24(33-34(26(23)31-15-30-25)19-9-11-20(35)12-10-19)17-7-5-16(6-8-17)14-29-27(36)22-13-18-3-1-2-4-21(18)32-22;2*28-25-23-24(32-33(26(23)31-15-30-25)19-9-11-20(34)12-10-19)17-7-5-16(6-8-17)14-29-27(35)22-13-18-3-1-2-4-21(18)36-22;27-23-21-22(32-33(24(21)30-14-29-23)17-9-11-18(34)12-10-17)16-7-5-15(6-8-16)13-28-25(35)26-31-19-3-1-2-4-20(19)36-26/h1-9,14,16,20-21,36H,10-13,15H2,(H,31,37)(H2,29,32,33);1-8,13-14,16,20-21,36H,9-12,15H2,(H,31,37)(H2,29,32,33);1-8,13,15,19-20,32,35H,9-12,14H2,(H,29,36)(H2,28,30,31);2*1-8,13,15,19-20,34H,9-12,14H2,(H,29,35)(H2,28,30,31);1-8,14,17-18,34H,9-13H2,(H,28,35)(H2,27,29,30)
InChIKeyHZIQAMODRZUMEB-UHFFFAOYSA-N
MW2949.46 g/mol
LogP25.04
Rot. Bonds30

About N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide

N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide (PubChem CID 158632288) has the molecular formula C163H158N40O13S2 and a molecular weight of 2949.46 g/mol. Its IUPAC name is N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide
PubChem CID158632288
Molecular FormulaC163H158N40O13S2
Molecular Weight2949.46 g/mol
Exact Mass2947.24
IUPAC NameN-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide
SMILESNc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4[nH]3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cccc4cccnc34)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nc4ccccc4s3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nccc4ccccc34)cc1)nn2C1CCC(O)CC1
InChIInChI=1S/2C28H27N7O2.C27H27N7O2.C27H26N6O3.C27H26N6O2S.C26H25N7O2S/c29-26-23-25(34-35(27(23)33-16-32-26)20-10-12-21(36)13-11-20)19-8-6-17(7-9-19)15-31-28(37)22-5-1-3-18-4-2-14-30-24(18)22;29-26-23-24(34-35(27(23)33-16-32-26)20-9-11-21(36)12-10-20)19-7-5-17(6-8-19)15-31-28(37)25-22-4-2-1-3-18(22)13-14-30-25;28-25-23-24(33-34(26(23)31-15-30-25)19-9-11-20(35)12-10-19)17-7-5-16(6-8-17)14-29-27(36)22-13-18-3-1-2-4-21(18)32-22;2*28-25-23-24(32-33(26(23)31-15-30-25)19-9-11-20(34)12-10-19)17-7-5-16(6-8-17)14-29-27(35)22-13-18-3-1-2-4-21(18)36-22;27-23-21-22(32-33(24(21)30-14-29-23)17-9-11-18(34)12-10-17)16-7-5-15(6-8-16)13-28-25(35)26-31-19-3-1-2-4-20(19)36-26/h1-9,14,16,20-21,36H,10-13,15H2,(H,31,37)(H2,29,32,33);1-8,13-14,16,20-21,36H,9-12,15H2,(H,31,37)(H2,29,32,33);1-8,13,15,19-20,32,35H,9-12,14H2,(H,29,36)(H2,28,30,31);2*1-8,13,15,19-20,34H,9-12,14H2,(H,29,35)(H2,28,30,31);1-8,14,17-18,34H,9-13H2,(H,28,35)(H2,27,29,30)
InChIKeyHZIQAMODRZUMEB-UHFFFAOYSA-N
XLogP25.04
TPSA781.30 Ų
H-Bond Donors19
H-Bond Acceptors48
Rotatable Bonds30
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002949.46
LogP ≤ 525.04
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1048

Analyze N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 159073835
N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide
CID 126717890
N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
CID 126717902
N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]naphthalene-1-carboxamide
CID 126718114
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3-methylnaphthalene-2-carboxamide
CID 147791738
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-fluorobenzamide
CID 126717856
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-propan-2-ylbenzamide
CID 126717910
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-ethoxybenzamide
CID 126717887
N-[[4-[4-amino-1-(4-oxocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 126717870
4-[4-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 118579161
[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1,3-benzothiazol-2-yl)methanol;[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1,3-benzothiazol-2-yl)methanone
CID 159244192
N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-pyridinyl]methyl]-2-methylbenzamide
CID 157350956

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide (CID 158632288) is N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide is Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4[nH]3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cccc4cccnc34)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nc4ccccc4s3)cc1)nn2C1CCC(O)CC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nccc4ccccc34)cc1)nn2C1CCC(O)CC1.
What is the InChIKey of N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is HZIQAMODRZUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N7O2.C27H27N7O2.C27H26N6O3.C27H26N6O2S.C26H25N7O2S/c29-26-23-25(34-35(27(23)33-16-32-26)20-10-12-21(36)13-11-20)19-8-6-17(7-9-19)15-31-28(37)22-5-1-3-18-4-2-14-30-24(18)22;29-26-23-24(34-35(27(23)33-16-32-26)20-9-11-21(36)12-10-20)19-7-5-17(6-8-19)15-31-28(37)25-22-4-2-1-3-18(22)13-14-30-25;28-25-23-24(33-34(26(23)31-15-30-25)19-9-11-20(35)12-10-19)17-7-5-16(6-8-17)14-29-27(36)22-13-18-3-1-2-4-21(18)32-22;2*28-25-23-24(32-33(26(23)31-15-30-25)19-9-11-20(34)12-10-19)17-7-5-16(6-8-17)14-29-27(35)22-13-18-3-1-2-4-21(18)36-22;27-23-21-22(32-33(24(21)30-14-29-23)17-9-11-18(34)12-10-17)16-7-5-15(6-8-16)13-28-25(35)26-31-19-3-1-2-4-20(19)36-26/h1-9,14,16,20-21,36H,10-13,15H2,(H,31,37)(H2,29,32,33);1-8,13-14,16,20-21,36H,9-12,15H2,(H,31,37)(H2,29,32,33);1-8,13,15,19-20,32,35H,9-12,14H2,(H,29,36)(H2,28,30,31);2*1-8,13,15,19-20,34H,9-12,14H2,(H,29,35)(H2,28,30,31);1-8,14,17-18,34H,9-13H2,(H,28,35)(H2,27,29,30).
What are the key properties of N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide?
N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 2949.46 g/mol, XLogP of 25.04, 30 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 158632288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).