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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Related Compounds

CID 71270836
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CID 70685441
CID 118545049
CID 118545049
CID 130192852
CID 130192852
CID 130192877
CID 130192877
CID 130192987
CID 130192987
CID 70925347
CID 70925347
CID 70925370
CID 70925370
CID 70925419
CID 70925419
CID 70925438
CID 70925438
CID 70925612
CID 70925612

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).