6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one

C23H24N6O3 — CID 138679374

IUPAC6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(Oc2ccc(-c3cnn(C4CC4)c3)cc2)nc2c(cnn2C2CCOCC2)c1=O
InChIInChI=1S/C23H24N6O3/c1-27-22(30)20-13-25-29(18-8-10-31-11-9-18)21(20)26-23(27)32-19-6-2-15(3-7-19)16-12-24-28(14-16)17-4-5-17/h2-3,6-7,12-14,17-18H,4-5,8-11H2,1H3
InChIKeyWHOZBSBSMNLBLL-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.47
Rot. Bonds5

About 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one

6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138679374) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138679374
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(Oc2ccc(-c3cnn(C4CC4)c3)cc2)nc2c(cnn2C2CCOCC2)c1=O
InChIInChI=1S/C23H24N6O3/c1-27-22(30)20-13-25-29(18-8-10-31-11-9-18)21(20)26-23(27)32-19-6-2-15(3-7-19)16-12-24-28(14-16)17-4-5-17/h2-3,6-7,12-14,17-18H,4-5,8-11H2,1H3
InChIKeyWHOZBSBSMNLBLL-UHFFFAOYSA-N
XLogP3.47
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
6-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 134458574
11-[(4-methoxyphenyl)methyl]-6-(oxan-4-yl)-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
CID 118956474
1-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674967
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]-1-[4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435795
1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one
CID 158586399
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
CID 172876873
2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline
CID 170965371
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
CID 121383014
1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
CID 138040986
methyl (2S)-6-(1-cyclopropylpyrazol-4-yl)-5-(4-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118075667

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one (CID 138679374) is 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one is Cn1c(Oc2ccc(-c3cnn(C4CC4)c3)cc2)nc2c(cnn2C2CCOCC2)c1=O.
What is the InChIKey of 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WHOZBSBSMNLBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-27-22(30)20-13-25-29(18-8-10-31-11-9-18)21(20)26-23(27)32-19-6-2-15(3-7-19)16-12-24-28(14-16)17-4-5-17/h2-3,6-7,12-14,17-18H,4-5,8-11H2,1H3.
What are the key properties of 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 432.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclopropylpyrazol-4-yl)phenoxy]-5-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138679374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).