3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17FN6O2 — CID 175830932

IUPAC3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nccnc1-c1[nH]n2c(=O)ccnc2c1C(=O)N1CC(CF)C1C
InChIInChI=1S/C17H17FN6O2/c1-9-14(20-6-5-19-9)15-13(16-21-4-3-12(25)24(16)22-15)17(26)23-8-11(7-18)10(23)2/h3-6,10-11,22H,7-8H2,1-2H3
InChIKeyDRLNCWKYOJMJIN-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.22
Rot. Bonds3

About 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 175830932) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID175830932
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nccnc1-c1[nH]n2c(=O)ccnc2c1C(=O)N1CC(CF)C1C
InChIInChI=1S/C17H17FN6O2/c1-9-14(20-6-5-19-9)15-13(16-21-4-3-12(25)24(16)22-15)17(26)23-8-11(7-18)10(23)2/h3-6,10-11,22H,7-8H2,1-2H3
InChIKeyDRLNCWKYOJMJIN-UHFFFAOYSA-N
XLogP1.22
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 175830932) is 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nccnc1-c1[nH]n2c(=O)ccnc2c1C(=O)N1CC(CF)C1C.
What is the InChIKey of 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DRLNCWKYOJMJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-9-14(20-6-5-19-9)15-13(16-21-4-3-12(25)24(16)22-15)17(26)23-8-11(7-18)10(23)2/h3-6,10-11,22H,7-8H2,1-2H3.
What are the key properties of 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 356.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 175830932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).