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

C16H22FN7O — CID 118768733

IUPACN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(c1ncc(F)c(N(C)C)n1)C2
InChIInChI=1S/C16H22FN7O/c1-4-14(25)18-8-11-7-12-10-23(5-6-24(12)21-11)16-19-9-13(17)15(20-16)22(2)3/h7,9H,4-6,8,10H2,1-3H3,(H,18,25)
InChIKeyDRGOKMKGLDOZMZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.92
Rot. Bonds5

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

N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 118768733) has the molecular formula C16H22FN7O and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID118768733
Molecular FormulaC16H22FN7O
Molecular Weight347.40 g/mol
Exact Mass347.19
IUPAC NameN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(c1ncc(F)c(N(C)C)n1)C2
InChIInChI=1S/C16H22FN7O/c1-4-14(25)18-8-11-7-12-10-23(5-6-24(12)21-11)16-19-9-13(17)15(20-16)22(2)3/h7,9H,4-6,8,10H2,1-3H3,(H,18,25)
InChIKeyDRGOKMKGLDOZMZ-UHFFFAOYSA-N
XLogP0.92
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 118768733) is N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(c1ncc(F)c(N(C)C)n1)C2.
What is the InChIKey of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is DRGOKMKGLDOZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN7O/c1-4-14(25)18-8-11-7-12-10-23(5-6-24(12)21-11)16-19-9-13(17)15(20-16)22(2)3/h7,9H,4-6,8,10H2,1-3H3,(H,18,25).
What are the key properties of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 347.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 118768733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).