2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one

C16H23FN6O — CID 175348142

IUPAC2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCN(c2ccn3ncc(F)c3n2)CC1
InChIInChI=1S/C16H23FN6O/c1-11(2)9-13(18)16(24)22-7-5-21(6-8-22)14-3-4-23-15(20-14)12(17)10-19-23/h3-4,10-11,13H,5-9,18H2,1-2H3
InChIKeyCMCKYOLQJLDAMD-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one

2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 175348142) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID175348142
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCN(c2ccn3ncc(F)c3n2)CC1
InChIInChI=1S/C16H23FN6O/c1-11(2)9-13(18)16(24)22-7-5-21(6-8-22)14-3-4-23-15(20-14)12(17)10-19-23/h3-4,10-11,13H,5-9,18H2,1-2H3
InChIKeyCMCKYOLQJLDAMD-UHFFFAOYSA-N
XLogP0.89
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one (CID 175348142) is 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one is CC(C)CC(N)C(=O)N1CCN(c2ccn3ncc(F)c3n2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is CMCKYOLQJLDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-11(2)9-13(18)16(24)22-7-5-21(6-8-22)14-3-4-23-15(20-14)12(17)10-19-23/h3-4,10-11,13H,5-9,18H2,1-2H3.
What are the key properties of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 334.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 175348142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).