1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one

C22H15Cl2F2N3O2 — CID 71217887

IUPAC1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one
SMILESO=c1c(-c2c(Cl)cccc2Cl)c2ncc(OCc3ccc(F)cc3F)cn2n1C1CC1
InChIInChI=1S/C22H15Cl2F2N3O2/c23-16-2-1-3-17(24)19(16)20-21-27-9-15(10-28(21)29(22(20)30)14-6-7-14)31-11-12-4-5-13(25)8-18(12)26/h1-5,8-10,14H,6-7,11H2
InChIKeyCDVGVJHRRDVWOT-UHFFFAOYSA-N
MW462.28 g/mol
LogP5.66
Rot. Bonds5

About 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one

1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 71217887) has the molecular formula C22H15Cl2F2N3O2 and a molecular weight of 462.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID71217887
Molecular FormulaC22H15Cl2F2N3O2
Molecular Weight462.28 g/mol
Exact Mass461.05
IUPAC Name1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one
SMILESO=c1c(-c2c(Cl)cccc2Cl)c2ncc(OCc3ccc(F)cc3F)cn2n1C1CC1
InChIInChI=1S/C22H15Cl2F2N3O2/c23-16-2-1-3-17(24)19(16)20-21-27-9-15(10-28(21)29(22(20)30)14-6-7-14)31-11-12-4-5-13(25)8-18(12)26/h1-5,8-10,14H,6-7,11H2
InChIKeyCDVGVJHRRDVWOT-UHFFFAOYSA-N
XLogP5.66
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.28
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one
CID 71217890
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
CID 91482567
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
4-[(2,4-difluorophenyl)methoxy]-1-(4-methylphenyl)pyridin-2-one
CID 141203521

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one (CID 71217887) is 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one is O=c1c(-c2c(Cl)cccc2Cl)c2ncc(OCc3ccc(F)cc3F)cn2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is CDVGVJHRRDVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2N3O2/c23-16-2-1-3-17(24)19(16)20-21-27-9-15(10-28(21)29(22(20)30)14-6-7-14)31-11-12-4-5-13(25)8-18(12)26/h1-5,8-10,14H,6-7,11H2.
What are the key properties of 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one?
1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 462.28 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 71217887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).