N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea

C79H75N31O7S5 — CID 158496402

IUPACN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea
SMILESCCC(C)CC(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.CCCCS(=O)(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1
InChIInChI=1S/C17H20N6O.C16H13N7OS.C16H12N6OS.C15H12N6O2S2.C15H18N6O2S/c1-3-11(2)8-15(24)22-12-4-6-13(7-5-12)23-17-14(9-21-23)16(18)19-10-20-17;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;1-2-3-8-24(22,23)20-11-4-6-12(7-5-11)21-15-13(9-19-21)14(16)17-10-18-15/h4-7,9-11H,3,8H2,1-2H3,(H,22,24)(H2,18,19,20);1-9H,(H2,17,18,19)(H2,21,22,24);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-7,9-10,20H,2-3,8H2,1H3,(H2,16,17,18)
InChIKeyHJIQKUWRRCVWNW-UHFFFAOYSA-N
MW1731.01 g/mol
LogP12.79
Rot. Bonds21

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea (PubChem CID 158496402) has the molecular formula C79H75N31O7S5 and a molecular weight of 1731.01 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea
PubChem CID158496402
Molecular FormulaC79H75N31O7S5
Molecular Weight1731.01 g/mol
Exact Mass1729.51
IUPAC NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea
SMILESCCC(C)CC(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.CCCCS(=O)(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1
InChIInChI=1S/C17H20N6O.C16H13N7OS.C16H12N6OS.C15H12N6O2S2.C15H18N6O2S/c1-3-11(2)8-15(24)22-12-4-6-13(7-5-12)23-17-14(9-21-23)16(18)19-10-20-17;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;1-2-3-8-24(22,23)20-11-4-6-12(7-5-11)21-15-13(9-19-21)14(16)17-10-18-15/h4-7,9-11H,3,8H2,1-2H3,(H,22,24)(H2,18,19,20);1-9H,(H2,17,18,19)(H2,21,22,24);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-7,9-10,20H,2-3,8H2,1H3,(H2,16,17,18)
InChIKeyHJIQKUWRRCVWNW-UHFFFAOYSA-N
XLogP12.79
TPSA539.77 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001731.01
LogP ≤ 512.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea (CID 158496402) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea is CCC(C)CC(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.CCCCS(=O)(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1.
What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
The InChIKey is HJIQKUWRRCVWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C16H13N7OS.C16H12N6OS.C15H12N6O2S2.C15H18N6O2S/c1-3-11(2)8-15(24)22-12-4-6-13(7-5-12)23-17-14(9-21-23)16(18)19-10-20-17;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;1-2-3-8-24(22,23)20-11-4-6-12(7-5-11)21-15-13(9-19-21)14(16)17-10-18-15/h4-7,9-11H,3,8H2,1-2H3,(H,22,24)(H2,18,19,20);1-9H,(H2,17,18,19)(H2,21,22,24);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-7,9-10,20H,2-3,8H2,1H3,(H2,16,17,18).
What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea has a molecular weight of 1731.01 g/mol, XLogP of 12.79, 21 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 158496402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).