5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C17H19N5O2 — CID 17400644

IUPAC5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C1CC1
InChIInChI=1S/C17H19N5O2/c1-10-6-13(11(2)22(10)12-4-5-12)15(23)8-21-9-18-16-14(17(21)24)7-19-20(16)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyPTPZELFXABFRRE-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.77
Rot. Bonds4

About 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 17400644) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID17400644
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C1CC1
InChIInChI=1S/C17H19N5O2/c1-10-6-13(11(2)22(10)12-4-5-12)15(23)8-21-9-18-16-14(17(21)24)7-19-20(16)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyPTPZELFXABFRRE-UHFFFAOYSA-N
XLogP1.77
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 17400644) is 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C1CC1.
What is the InChIKey of 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PTPZELFXABFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-6-13(11(2)22(10)12-4-5-12)15(23)8-21-9-18-16-14(17(21)24)7-19-20(16)3/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 17400644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).