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

C78H67N31O7S6 — CID 161041985

IUPACN-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea
SMILESCCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2cccs2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccsc2)c1
InChIInChI=1S/C16H13N7OS.2C16H12N6OS.C15H12N6O2S2.C15H18N6O2S/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-2-10(6-12)21-16(24)22-11-4-5-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(23)13-5-2-6-24-13;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)21-16(23)10-4-5-24-8-10;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-2-10(6-11)20-25(22,23)12-4-5-24-8-12;1-2-3-7-24(22,23)20-11-5-4-6-12(8-11)21-15-13(9-19-21)14(16)17-10-18-15/h1-9H,(H2,17,18,19)(H2,21,22,24);2*1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18)
InChIKeyUAZQJZBXAHIXAH-UHFFFAOYSA-N
MW1743.01 g/mol
LogP12.73
Rot. Bonds19

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

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea (PubChem CID 161041985) has the molecular formula C78H67N31O7S6 and a molecular weight of 1743.01 g/mol. Its IUPAC name is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound NameN-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea
PubChem CID161041985
Molecular FormulaC78H67N31O7S6
Molecular Weight1743.01 g/mol
Exact Mass1741.42
IUPAC NameN-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea
SMILESCCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2cccs2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccsc2)c1
InChIInChI=1S/C16H13N7OS.2C16H12N6OS.C15H12N6O2S2.C15H18N6O2S/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-2-10(6-12)21-16(24)22-11-4-5-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(23)13-5-2-6-24-13;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)21-16(23)10-4-5-24-8-10;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-2-10(6-11)20-25(22,23)12-4-5-24-8-12;1-2-3-7-24(22,23)20-11-5-4-6-12(8-11)21-15-13(9-19-21)14(16)17-10-18-15/h1-9H,(H2,17,18,19)(H2,21,22,24);2*1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18)
InChIKeyUAZQJZBXAHIXAH-UHFFFAOYSA-N
XLogP12.73
TPSA539.77 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms122
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001743.01
LogP ≤ 512.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(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-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
The IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea (CID 161041985) is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea is CCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2cccs2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccsc2)c1.
What is the InChIKey of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
The InChIKey is UAZQJZBXAHIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS.2C16H12N6OS.C15H12N6O2S2.C15H18N6O2S/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-2-10(6-12)21-16(24)22-11-4-5-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(23)13-5-2-6-24-13;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)21-16(23)10-4-5-24-8-10;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-2-10(6-11)20-25(22,23)12-4-5-24-8-12;1-2-3-7-24(22,23)20-11-5-4-6-12(8-11)21-15-13(9-19-21)14(16)17-10-18-15/h1-9H,(H2,17,18,19)(H2,21,22,24);2*1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18).
What are the key properties of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea?
N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea has a molecular weight of 1743.01 g/mol, XLogP of 12.73, 19 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 161041985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).