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

C20H13Cl2F2N3O2 — CID 71217890

IUPAC3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)c2ncc(OCc3ccc(F)cc3F)cn21
InChIInChI=1S/C20H13Cl2F2N3O2/c1-26-20(28)18(17-14(21)3-2-4-15(17)22)19-25-8-13(9-27(19)26)29-10-11-5-6-12(23)7-16(11)24/h2-9H,10H2,1H3
InChIKeyBTKXFPFUKWLHAA-UHFFFAOYSA-N
MW436.25 g/mol
LogP4.86
Rot. Bonds4

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

3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 71217890) has the molecular formula C20H13Cl2F2N3O2 and a molecular weight of 436.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one
PubChem CID71217890
Molecular FormulaC20H13Cl2F2N3O2
Molecular Weight436.25 g/mol
Exact Mass435.04
IUPAC Name3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)c2ncc(OCc3ccc(F)cc3F)cn21
InChIInChI=1S/C20H13Cl2F2N3O2/c1-26-20(28)18(17-14(21)3-2-4-15(17)22)19-25-8-13(9-27(19)26)29-10-11-5-6-12(23)7-16(11)24/h2-9H,10H2,1H3
InChIKeyBTKXFPFUKWLHAA-UHFFFAOYSA-N
XLogP4.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one with MolForge

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Related Compounds

1-cyclopropyl-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]pyrazolo[1,5-a]pyrimidin-2-one
CID 71217887
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
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
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
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
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
4-[(2,4-difluorophenyl)methoxy]-1-(4-methylphenyl)pyridin-2-one
CID 141203521

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one (CID 71217890) is 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)c2ncc(OCc3ccc(F)cc3F)cn21.
What is the InChIKey of 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is BTKXFPFUKWLHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2N3O2/c1-26-20(28)18(17-14(21)3-2-4-15(17)22)19-25-8-13(9-27(19)26)29-10-11-5-6-12(23)7-16(11)24/h2-9H,10H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one?
3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 436.25 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-1-methylpyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 71217890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).