2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C24H21N5O2 — CID 59723574

IUPAC2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(Oc2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2)c(C)c1
InChIInChI=1S/C24H21N5O2/c1-15-3-8-22(16(2)13-15)31-18-6-4-17(5-7-18)23-25-10-9-19(27-23)20-14-21-24(30)26-11-12-29(21)28-20/h3-10,13-14H,11-12H2,1-2H3,(H,26,30)
InChIKeyQMVVXPHECLQVSS-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723574) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723574
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(Oc2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2)c(C)c1
InChIInChI=1S/C24H21N5O2/c1-15-3-8-22(16(2)13-15)31-18-6-4-17(5-7-18)23-25-10-9-19(27-23)20-14-21-24(30)26-11-12-29(21)28-20/h3-10,13-14H,11-12H2,1-2H3,(H,26,30)
InChIKeyQMVVXPHECLQVSS-UHFFFAOYSA-N
XLogP4.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723574) is 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(Oc2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2)c(C)c1.
What is the InChIKey of 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QMVVXPHECLQVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-3-8-22(16(2)13-15)31-18-6-4-17(5-7-18)23-25-10-9-19(27-23)20-14-21-24(30)26-11-12-29(21)28-20/h3-10,13-14H,11-12H2,1-2H3,(H,26,30).
What are the key properties of 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 411.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,4-dimethylphenoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).