2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C18H17N5O2 — CID 72874252

IUPAC2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)c1cn[nH]c1-c1ccccc1)C2
InChIInChI=1S/C18H17N5O2/c1-11-20-15-10-23(9-14(15)17(24)22(11)2)18(25)13-8-19-21-16(13)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyVOWOHKMFKKJGRR-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.63
Rot. Bonds2

About 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72874252) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72874252
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)c1cn[nH]c1-c1ccccc1)C2
InChIInChI=1S/C18H17N5O2/c1-11-20-15-10-23(9-14(15)17(24)22(11)2)18(25)13-8-19-21-16(13)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyVOWOHKMFKKJGRR-UHFFFAOYSA-N
XLogP1.63
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72874252) is 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)c1cn[nH]c1-c1ccccc1)C2.
What is the InChIKey of 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is VOWOHKMFKKJGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-20-15-10-23(9-14(15)17(24)22(11)2)18(25)13-8-19-21-16(13)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 335.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72874252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).