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

C21H14N6OS — CID 127036564

IUPACN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1
InChIInChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
InChIKeyDAGXJYRYKMTHGV-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.19
Rot. Bonds4

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

N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide (PubChem CID 127036564) has the molecular formula C21H14N6OS and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
PubChem CID127036564
Molecular FormulaC21H14N6OS
Molecular Weight398.45 g/mol
Exact Mass398.09
IUPAC NameN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1
InChIInChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
InChIKeyDAGXJYRYKMTHGV-UHFFFAOYSA-N
XLogP4.19
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.19
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)pyridine-3-carboxamide?
The IUPAC name of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide (CID 127036564) is N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1.
What is the InChIKey of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
The InChIKey is DAGXJYRYKMTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28).
What are the key properties of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 4.19, 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)pyridine-3-carboxamide is sourced from PubChem (CID 127036564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).