6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C21H24N6O2 — CID 138679383

IUPAC6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1ncc(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)cc2)c1C
InChIInChI=1S/C21H24N6O2/c1-6-26-14(4)17(11-22-26)15-7-9-16(10-8-15)29-21-24-19-18(20(28)25(21)5)12-23-27(19)13(2)3/h7-13H,6H2,1-5H3
InChIKeySRJVDPKUTNMIAT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.70
Rot. Bonds5

About 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one

6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138679383) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138679383
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1ncc(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)cc2)c1C
InChIInChI=1S/C21H24N6O2/c1-6-26-14(4)17(11-22-26)15-7-9-16(10-8-15)29-21-24-19-18(20(28)25(21)5)12-23-27(19)13(2)3/h7-13H,6H2,1-5H3
InChIKeySRJVDPKUTNMIAT-UHFFFAOYSA-N
XLogP3.70
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.70
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-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679439
4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole
CID 162634400
4-(1-ethyl-5-methylpyrazol-4-yl)aniline
CID 66097855
4-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099115
4-(1-ethyl-5-methylpyrazol-4-yl)pyridine
CID 157015319
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
6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 138679374
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
6-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenoxy]-5-methyl-1-[(3R)-oxan-3-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 138679493

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 138679383) is 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one is CCn1ncc(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)cc2)c1C.
What is the InChIKey of 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SRJVDPKUTNMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-6-26-14(4)17(11-22-26)15-7-9-16(10-8-15)29-21-24-19-18(20(28)25(21)5)12-23-27(19)13(2)3/h7-13H,6H2,1-5H3.
What are the key properties of 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138679383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).