N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide

C25H17Cl2N5O — CID 68914692

IUPACN-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C25H17Cl2N5O/c26-17-10-8-16(9-11-17)24-20(19-6-1-2-7-21(19)27)14-29-25-22(15-30-32(24)25)31-23(33)13-18-5-3-4-12-28-18/h1-12,14-15H,13H2,(H,31,33)
InChIKeyNBQZEIIEERKGBF-UHFFFAOYSA-N
MW474.35 g/mol
LogP5.95
Rot. Bonds5

About N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide

N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 68914692) has the molecular formula C25H17Cl2N5O and a molecular weight of 474.35 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide
PubChem CID68914692
Molecular FormulaC25H17Cl2N5O
Molecular Weight474.35 g/mol
Exact Mass473.08
IUPAC NameN-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C25H17Cl2N5O/c26-17-10-8-16(9-11-17)24-20(19-6-1-2-7-21(19)27)14-29-25-22(15-30-32(24)25)31-23(33)13-18-5-3-4-12-28-18/h1-12,14-15H,13H2,(H,31,33)
InChIKeyNBQZEIIEERKGBF-UHFFFAOYSA-N
XLogP5.95
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide (CID 68914692) is N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12.
What is the InChIKey of N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide?
The InChIKey is NBQZEIIEERKGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N5O/c26-17-10-8-16(9-11-17)24-20(19-6-1-2-7-21(19)27)14-29-25-22(15-30-32(24)25)31-23(33)13-18-5-3-4-12-28-18/h1-12,14-15H,13H2,(H,31,33).
What are the key properties of N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide?
N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide has a molecular weight of 474.35 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 68914692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).