6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H22N4O2 — CID 139004415

IUPAC6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC(C)(C)C1C1CC1
InChIInChI=1S/C17H22N4O2/c1-10-12(16(23)21-13(19-10)6-7-18-21)8-14(22)20-9-17(2,3)15(20)11-4-5-11/h6-7,11,15,18H,4-5,8-9H2,1-3H3
InChIKeyGAPBOYQNRMQGSG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.52
Rot. Bonds3

About 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 139004415) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID139004415
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC(C)(C)C1C1CC1
InChIInChI=1S/C17H22N4O2/c1-10-12(16(23)21-13(19-10)6-7-18-21)8-14(22)20-9-17(2,3)15(20)11-4-5-11/h6-7,11,15,18H,4-5,8-9H2,1-3H3
InChIKeyGAPBOYQNRMQGSG-UHFFFAOYSA-N
XLogP1.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 139004415) is 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC(C)(C)C1C1CC1.
What is the InChIKey of 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GAPBOYQNRMQGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-12(16(23)21-13(19-10)6-7-18-21)8-14(22)20-9-17(2,3)15(20)11-4-5-11/h6-7,11,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 314.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 139004415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).