2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol

C15H11N5OS — CID 127046438

IUPAC2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
SMILESNc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12
InChIInChI=1S/C15H11N5OS/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18)
InChIKeyCKHUVQWKDJVMTD-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.83
Rot. Bonds2

About 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol

2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol (PubChem CID 127046438) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
PubChem CID127046438
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
SMILESNc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12
InChIInChI=1S/C15H11N5OS/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18)
InChIKeyCKHUVQWKDJVMTD-UHFFFAOYSA-N
XLogP2.83
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 142691977
9-propan-2-yl-2-thiophen-2-ylpurin-6-amine
CID 117090774
2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol
CID 154841713
3-thiophen-2-yl-1,2,4-benzotriazine
CID 135025345
2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83888216
4-amino-2-thiophen-2-ylchromeno[4,3-d]pyrimidin-5-one
CID 21230603
1-(2-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 11830469
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565
4-indol-1-yl-2-thiophen-2-ylquinazoline
CID 162400735

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
The IUPAC name of 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol (CID 127046438) is 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol is Nc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12.
What is the InChIKey of 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
The InChIKey is CKHUVQWKDJVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18).
What are the key properties of 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol has a molecular weight of 309.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 127046438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).