6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one

C18H20N6O2 — CID 53100532

IUPAC6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCN1CCN(C(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)CC1
InChIInChI=1S/C18H20N6O2/c1-21-8-10-23(11-9-21)17(25)15-14-16(18(26)22(2)12-19-14)24(20-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyIFIHIZSPTIFOME-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.51
Rot. Bonds2

About 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one

6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 53100532) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID53100532
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCN1CCN(C(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)CC1
InChIInChI=1S/C18H20N6O2/c1-21-8-10-23(11-9-21)17(25)15-14-16(18(26)22(2)12-19-14)24(20-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyIFIHIZSPTIFOME-UHFFFAOYSA-N
XLogP0.51
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one (CID 53100532) is 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one is CN1CCN(C(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)CC1.
What is the InChIKey of 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is IFIHIZSPTIFOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-21-8-10-23(11-9-21)17(25)15-14-16(18(26)22(2)12-19-14)24(20-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one?
6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 352.40 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 53100532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).