2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H12ClN5O2 — CID 3071411

IUPAC2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccn1)c1cnc2cc(Cl)n(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H12ClN5O2/c19-14-10-16-21-11-13(17(25)22-15-8-4-5-9-20-15)18(26)24(16)23(14)12-6-2-1-3-7-12/h1-11H,(H,20,22,25)
InChIKeyIECSRSYITYPRRX-UHFFFAOYSA-N
MW365.78 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3071411) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3071411
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccn1)c1cnc2cc(Cl)n(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H12ClN5O2/c19-14-10-16-21-11-13(17(25)22-15-8-4-5-9-20-15)18(26)24(16)23(14)12-6-2-1-3-7-12/h1-11H,(H,20,22,25)
InChIKeyIECSRSYITYPRRX-UHFFFAOYSA-N
XLogP2.79
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3071411) is 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(Nc1ccccn1)c1cnc2cc(Cl)n(-c3ccccc3)n2c1=O.
What is the InChIKey of 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IECSRSYITYPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-14-10-16-21-11-13(17(25)22-15-8-4-5-9-20-15)18(26)24(16)23(14)12-6-2-1-3-7-12/h1-11H,(H,20,22,25).
What are the key properties of 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 365.78 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3071411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).