N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide

C20H13N5OS2 — CID 127036563

IUPACN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1
InChIInChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
InChIKeyQQCKOEVQNPLGAF-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.86
Rot. Bonds4

About N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide

N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide (PubChem CID 127036563) has the molecular formula C20H13N5OS2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide
PubChem CID127036563
Molecular FormulaC20H13N5OS2
Molecular Weight403.49 g/mol
Exact Mass403.06
IUPAC NameN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1
InChIInChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
InChIKeyQQCKOEVQNPLGAF-UHFFFAOYSA-N
XLogP4.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide (CID 127036563) is N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide is O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1.
What is the InChIKey of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide?
The InChIKey is QQCKOEVQNPLGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26).
What are the key properties of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide?
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 127036563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).