N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

C16H19FN6O — CID 122571546

IUPACN-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(c1ncc(F)cn1)C2)C1CCC1
InChIInChI=1S/C16H19FN6O/c17-12-7-19-16(20-8-12)22-4-5-23-14(10-22)6-13(21-23)9-18-15(24)11-2-1-3-11/h6-8,11H,1-5,9-10H2,(H,18,24)
InChIKeyXXVIXJQWNWVNTM-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.25
Rot. Bonds4

About N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 122571546) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID122571546
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC NameN-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(c1ncc(F)cn1)C2)C1CCC1
InChIInChI=1S/C16H19FN6O/c17-12-7-19-16(20-8-12)22-4-5-23-14(10-22)6-13(21-23)9-18-15(24)11-2-1-3-11/h6-8,11H,1-5,9-10H2,(H,18,24)
InChIKeyXXVIXJQWNWVNTM-UHFFFAOYSA-N
XLogP1.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 122571546) is N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is O=C(NCc1cc2n(n1)CCN(c1ncc(F)cn1)C2)C1CCC1.
What is the InChIKey of N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is XXVIXJQWNWVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c17-12-7-19-16(20-8-12)22-4-5-23-14(10-22)6-13(21-23)9-18-15(24)11-2-1-3-11/h6-8,11H,1-5,9-10H2,(H,18,24).
What are the key properties of N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 122571546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).