5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H10Cl2N4O — CID 70925419

IUPAC5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H10Cl2N4O/c18-12-5-4-10(7-13(12)19)15-8-16(24)23-17(22-15)11(9-21-23)14-3-1-2-6-20-14/h1-9,21H
InChIKeyGFABFEMGHURREF-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.06
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925419) has the molecular formula C17H10Cl2N4O and a molecular weight of 357.20 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925419
Molecular FormulaC17H10Cl2N4O
Molecular Weight357.20 g/mol
Exact Mass356.02
IUPAC Name5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H10Cl2N4O/c18-12-5-4-10(7-13(12)19)15-8-16(24)23-17(22-15)11(9-21-23)14-3-1-2-6-20-14/h1-9,21H
InChIKeyGFABFEMGHURREF-UHFFFAOYSA-N
XLogP4.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925419) is 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GFABFEMGHURREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O/c18-12-5-4-10(7-13(12)19)15-8-16(24)23-17(22-15)11(9-21-23)14-3-1-2-6-20-14/h1-9,21H.
What are the key properties of 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 357.20 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).