N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea

C78H76ClN33O7S — CID 157062885

IUPACN-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Cn1ccnc1C(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN6O2S.C16H14N8O.C15H17N7O.C15H16N6O2.C15H16N6O/c18-11-4-6-14(7-5-11)27(25,26)23-12-2-1-3-13(8-12)24-17-15(9-22-24)16(19)20-10-21-17;1-23-6-5-18-15(23)16(25)22-10-3-2-4-11(7-10)24-14-12(8-21-24)13(17)19-9-20-14;1-9(2)20-15(23)21-10-4-3-5-11(6-10)22-14-12(7-19-22)13(16)17-8-18-14;1-23-6-5-13(22)20-10-3-2-4-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15;1-2-4-13(22)20-10-5-3-6-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10,23H,(H2,19,20,21);2-9H,1H3,(H,22,25)(H2,17,19,20);3-9H,1-2H3,(H2,16,17,18)(H2,20,21,23);2-4,7-9H,5-6H2,1H3,(H,20,22)(H2,16,17,18);3,5-9H,2,4H2,1H3,(H,20,22)(H2,16,17,18)
InChIKeyABNKZPNMYORKIJ-UHFFFAOYSA-N
MW1655.21 g/mol
LogP9.67
Rot. Bonds19

About N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea (PubChem CID 157062885) has the molecular formula C78H76ClN33O7S and a molecular weight of 1655.21 g/mol. Its IUPAC name is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound NameN-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea
PubChem CID157062885
Molecular FormulaC78H76ClN33O7S
Molecular Weight1655.21 g/mol
Exact Mass1653.60
IUPAC NameN-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Cn1ccnc1C(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN6O2S.C16H14N8O.C15H17N7O.C15H16N6O2.C15H16N6O/c18-11-4-6-14(7-5-11)27(25,26)23-12-2-1-3-13(8-12)24-17-15(9-22-24)16(19)20-10-21-17;1-23-6-5-18-15(23)16(25)22-10-3-2-4-11(7-10)24-14-12(8-21-24)13(17)19-9-20-14;1-9(2)20-15(23)21-10-4-3-5-11(6-10)22-14-12(7-19-22)13(16)17-8-18-14;1-23-6-5-13(22)20-10-3-2-4-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15;1-2-4-13(22)20-10-5-3-6-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10,23H,(H2,19,20,21);2-9H,1H3,(H,22,25)(H2,17,19,20);3-9H,1-2H3,(H2,16,17,18)(H2,20,21,23);2-4,7-9H,5-6H2,1H3,(H,20,22)(H2,16,17,18);3,5-9H,2,4H2,1H3,(H,20,22)(H2,16,17,18)
InChIKeyABNKZPNMYORKIJ-UHFFFAOYSA-N
XLogP9.67
TPSA549.75 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.21
LogP ≤ 59.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea with MolForge

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Related Compounds

2-[4-[[8-[8-(4-Chloro-2-fluorophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(4-fluorophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[4-(trifluoromethyl)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
CID 159846621
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157764551
N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 159636490
1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-(1-methylimidazol-2-yl)ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylpentan-2-one;1-[3-[(4-chlorophenyl)sulfonylmethyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(2H-pyrrol-3-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 159789318
(4E)-4-[[5-[(5-chloro-2-fluorophenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-imidazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159799582

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea (CID 157062885) is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Cn1ccnc1C(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is ABNKZPNMYORKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S.C16H14N8O.C15H17N7O.C15H16N6O2.C15H16N6O/c18-11-4-6-14(7-5-11)27(25,26)23-12-2-1-3-13(8-12)24-17-15(9-22-24)16(19)20-10-21-17;1-23-6-5-18-15(23)16(25)22-10-3-2-4-11(7-10)24-14-12(8-21-24)13(17)19-9-20-14;1-9(2)20-15(23)21-10-4-3-5-11(6-10)22-14-12(7-19-22)13(16)17-8-18-14;1-23-6-5-13(22)20-10-3-2-4-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15;1-2-4-13(22)20-10-5-3-6-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10,23H,(H2,19,20,21);2-9H,1H3,(H,22,25)(H2,17,19,20);3-9H,1-2H3,(H2,16,17,18)(H2,20,21,23);2-4,7-9H,5-6H2,1H3,(H,20,22)(H2,16,17,18);3,5-9H,2,4H2,1H3,(H,20,22)(H2,16,17,18).
What are the key properties of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea?
N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 1655.21 g/mol, XLogP of 9.67, 19 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 157062885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).