7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H13N5O2 — CID 3071417

IUPAC7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccncc1)c1cnc2ccn(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H13N5O2/c24-17(21-13-6-9-19-10-7-13)15-12-20-16-8-11-22(23(16)18(15)25)14-4-2-1-3-5-14/h1-12H,(H,19,21,24)
InChIKeyBSFZTGILWHHGEO-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.13
Rot. Bonds3

About 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3071417) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3071417
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccncc1)c1cnc2ccn(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H13N5O2/c24-17(21-13-6-9-19-10-7-13)15-12-20-16-8-11-22(23(16)18(15)25)14-4-2-1-3-5-14/h1-12H,(H,19,21,24)
InChIKeyBSFZTGILWHHGEO-UHFFFAOYSA-N
XLogP2.13
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3071417) is 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(Nc1ccncc1)c1cnc2ccn(-c3ccccc3)n2c1=O.
What is the InChIKey of 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BSFZTGILWHHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-17(21-13-6-9-19-10-7-13)15-12-20-16-8-11-22(23(16)18(15)25)14-4-2-1-3-5-14/h1-12H,(H,19,21,24).
What are the key properties of 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3071417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).