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

C19H14Cl2N4O2 — CID 71270723

IUPAC3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N4O2/c1-27-19-13(9-12-3-2-4-14(20)17(12)21)18-23-15(10-16(26)25(18)24-19)11-5-7-22-8-6-11/h2-8,10,24H,9H2,1H3
InChIKeyZQXAFUNJAAUTSB-UHFFFAOYSA-N
MW401.25 g/mol
LogP3.99
Rot. Bonds4

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

3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 71270723) has the molecular formula C19H14Cl2N4O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID71270723
Molecular FormulaC19H14Cl2N4O2
Molecular Weight401.25 g/mol
Exact Mass400.05
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N4O2/c1-27-19-13(9-12-3-2-4-14(20)17(12)21)18-23-15(10-16(26)25(18)24-19)11-5-7-22-8-6-11/h2-8,10,24H,9H2,1H3
InChIKeyZQXAFUNJAAUTSB-UHFFFAOYSA-N
XLogP3.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 71270723) is 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZQXAFUNJAAUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2/c1-27-19-13(9-12-3-2-4-14(20)17(12)21)18-23-15(10-16(26)25(18)24-19)11-5-7-22-8-6-11/h2-8,10,24H,9H2,1H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 401.25 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-2-methoxy-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71270723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).