3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C20H21FN4O4 — CID 172631957

IUPAC3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cn2ncc(-c3cc(C)c(OC)c(F)c3)c2nc1N1C(=O)OCC1(C)C
InChIInChI=1S/C20H21FN4O4/c1-11-6-12(7-14(21)16(11)28-5)13-8-22-24-9-15(27-4)18(23-17(13)24)25-19(26)29-10-20(25,2)3/h6-9H,10H2,1-5H3
InChIKeyCZWHLNBCXWJIFO-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.60
Rot. Bonds4

About 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 172631957) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID172631957
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cn2ncc(-c3cc(C)c(OC)c(F)c3)c2nc1N1C(=O)OCC1(C)C
InChIInChI=1S/C20H21FN4O4/c1-11-6-12(7-14(21)16(11)28-5)13-8-22-24-9-15(27-4)18(23-17(13)24)25-19(26)29-10-20(25,2)3/h6-9H,10H2,1-5H3
InChIKeyCZWHLNBCXWJIFO-UHFFFAOYSA-N
XLogP3.60
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503966
5-(5-bromo-6-methoxynaphthalen-2-yl)-3-(3,4-dimethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 3723315
6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503569
1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
CID 90933201
6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 157036621
(12R,14S)-4-amino-12,18-dimethoxy-16-oxa-5,7,10,20,21,24-hexazapentacyclo[15.5.2.12,6.010,14.020,23]pentacosa-1(23),2,4,6(25),17(24),18,21-heptaen-11-one
CID 177366239
N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24866388
2-chloro-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
CID 171505548
2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
CID 171505600
cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
CID 176956429
5-(3,4-difluoro-5-methoxyphenyl)-2-methoxy-3-methylbenzoic acid
CID 69110325

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 172631957) is 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is COc1cn2ncc(-c3cc(C)c(OC)c(F)c3)c2nc1N1C(=O)OCC1(C)C.
What is the InChIKey of 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is CZWHLNBCXWJIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-11-6-12(7-14(21)16(11)28-5)13-8-22-24-9-15(27-4)18(23-17(13)24)25-19(26)29-10-20(25,2)3/h6-9H,10H2,1-5H3.
What are the key properties of 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 400.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 172631957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).