1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one

C13H18N4O2 — CID 138031792

IUPAC1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1ncc2ncn(CC3CC(OC)C3)c(=O)c21
InChIInChI=1S/C13H18N4O2/c1-3-17-12-11(6-15-17)14-8-16(13(12)18)7-9-4-10(5-9)19-2/h6,8-10H,3-5,7H2,1-2H3
InChIKeyOPBQDHFDCBMNFR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.04
Rot. Bonds4

About 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one

1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 138031792) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID138031792
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1ncc2ncn(CC3CC(OC)C3)c(=O)c21
InChIInChI=1S/C13H18N4O2/c1-3-17-12-11(6-15-17)14-8-16(13(12)18)7-9-4-10(5-9)19-2/h6,8-10H,3-5,7H2,1-2H3
InChIKeyOPBQDHFDCBMNFR-UHFFFAOYSA-N
XLogP1.04
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one (CID 138031792) is 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one is CCn1ncc2ncn(CC3CC(OC)C3)c(=O)c21.
What is the InChIKey of 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OPBQDHFDCBMNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-17-12-11(6-15-17)14-8-16(13(12)18)7-9-4-10(5-9)19-2/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one?
1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 262.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(3-methoxycyclobutyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 138031792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).