6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C20H21FN6O2 — CID 138679439

IUPAC6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)c(F)c2)cn1C
InChIInChI=1S/C20H21FN6O2/c1-11(2)27-18-14(9-22-27)19(28)26(5)20(24-18)29-17-7-6-13(8-15(17)21)16-10-25(4)12(3)23-16/h6-11H,1-5H3
InChIKeyPAVXWZITECJRFI-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.35
Rot. Bonds4

About 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one

6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138679439) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138679439
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)c(F)c2)cn1C
InChIInChI=1S/C20H21FN6O2/c1-11(2)27-18-14(9-22-27)19(28)26(5)20(24-18)29-17-7-6-13(8-15(17)21)16-10-25(4)12(3)23-16/h6-11H,1-5H3
InChIKeyPAVXWZITECJRFI-UHFFFAOYSA-N
XLogP3.35
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679597
6-[4-(1-tert-butylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679557
6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679383
6-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679351
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide
CID 175826734
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
CID 18999825
6-propan-2-yl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 22401693
[2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693206
[2-(2,5-difluoroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8906745
N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55589524

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 138679439) is 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)c(F)c2)cn1C.
What is the InChIKey of 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PAVXWZITECJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-11(2)27-18-14(9-22-27)19(28)26(5)20(24-18)29-17-7-6-13(8-15(17)21)16-10-25(4)12(3)23-16/h6-11H,1-5H3.
What are the key properties of 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 396.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138679439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).