3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one

C20H16Cl2N4O — CID 86724887

IUPAC3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(Cc2cccc(Cl)c2Cl)c2nc(-c3ccncc3)cc(=O)n2n1C
InChIInChI=1S/C20H16Cl2N4O/c1-12-15(10-14-4-3-5-16(21)19(14)22)20-24-17(13-6-8-23-9-7-13)11-18(27)26(20)25(12)2/h3-9,11H,10H2,1-2H3
InChIKeyXONIUZWECJIFTI-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.30
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one

3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 86724887) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID86724887
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(Cc2cccc(Cl)c2Cl)c2nc(-c3ccncc3)cc(=O)n2n1C
InChIInChI=1S/C20H16Cl2N4O/c1-12-15(10-14-4-3-5-16(21)19(14)22)20-24-17(13-6-8-23-9-7-13)11-18(27)26(20)25(12)2/h3-9,11H,10H2,1-2H3
InChIKeyXONIUZWECJIFTI-UHFFFAOYSA-N
XLogP4.30
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 86724887) is 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one is Cc1c(Cc2cccc(Cl)c2Cl)c2nc(-c3ccncc3)cc(=O)n2n1C.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XONIUZWECJIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c1-12-15(10-14-4-3-5-16(21)19(14)22)20-24-17(13-6-8-23-9-7-13)11-18(27)26(20)25(12)2/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one?
3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 399.28 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-1,2-dimethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 86724887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).