N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C17H22FN7O — CID 70705659

IUPACN-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(c1ncc(F)c(N3CCCC3)n1)C2
InChIInChI=1S/C17H22FN7O/c1-12(26)19-9-13-8-14-11-24(6-7-25(14)22-13)17-20-10-15(18)16(21-17)23-4-2-3-5-23/h8,10H,2-7,9,11H2,1H3,(H,19,26)
InChIKeyGMRROZOCWRUCFO-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.07
Rot. Bonds4

About N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 70705659) has the molecular formula C17H22FN7O and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID70705659
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC NameN-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(c1ncc(F)c(N3CCCC3)n1)C2
InChIInChI=1S/C17H22FN7O/c1-12(26)19-9-13-8-14-11-24(6-7-25(14)22-13)17-20-10-15(18)16(21-17)23-4-2-3-5-23/h8,10H,2-7,9,11H2,1H3,(H,19,26)
InChIKeyGMRROZOCWRUCFO-UHFFFAOYSA-N
XLogP1.07
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 70705659) is N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cc2n(n1)CCN(c1ncc(F)c(N3CCCC3)n1)C2.
What is the InChIKey of N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is GMRROZOCWRUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN7O/c1-12(26)19-9-13-8-14-11-24(6-7-25(14)22-13)17-20-10-15(18)16(21-17)23-4-2-3-5-23/h8,10H,2-7,9,11H2,1H3,(H,19,26).
What are the key properties of N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 70705659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).