1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H18N6O — CID 165415256

IUPAC1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cc(-c2ccccc2)nc1CCc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C18H18N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,10-11H,8-9H2,1-2H3,(H,21,22,25)
InChIKeyNMUSMYPQSPTFRG-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.84
Rot. Bonds4

About 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 165415256) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID165415256
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cc(-c2ccccc2)nc1CCc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C18H18N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,10-11H,8-9H2,1-2H3,(H,21,22,25)
InChIKeyNMUSMYPQSPTFRG-UHFFFAOYSA-N
XLogP1.84
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 165415256) is 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1cc(-c2ccccc2)nc1CCc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NMUSMYPQSPTFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,10-11H,8-9H2,1-2H3,(H,21,22,25).
What are the key properties of 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 334.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 165415256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).