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

C14H20FN7O2S — CID 118775022

IUPACN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1nc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)ncc1F
InChIInChI=1S/C14H20FN7O2S/c1-20(2)13-12(15)8-16-14(18-13)21-4-5-22-11(9-21)6-10(19-22)7-17-25(3,23)24/h6,8,17H,4-5,7,9H2,1-3H3
InChIKeyJKKQHZWXEZPDFI-UHFFFAOYSA-N
MW369.43 g/mol
LogP-0.05
Rot. Bonds5

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

N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 118775022) has the molecular formula C14H20FN7O2S and a molecular weight of 369.43 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]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID118775022
Molecular FormulaC14H20FN7O2S
Molecular Weight369.43 g/mol
Exact Mass369.14
IUPAC NameN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1nc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)ncc1F
InChIInChI=1S/C14H20FN7O2S/c1-20(2)13-12(15)8-16-14(18-13)21-4-5-22-11(9-21)6-10(19-22)7-17-25(3,23)24/h6,8,17H,4-5,7,9H2,1-3H3
InChIKeyJKKQHZWXEZPDFI-UHFFFAOYSA-N
XLogP-0.05
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]methanesulfonamide?
The IUPAC name of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 118775022) is N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.
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]methanesulfonamide?
The canonical SMILES for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is CN(C)c1nc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)ncc1F.
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]methanesulfonamide?
The InChIKey is JKKQHZWXEZPDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN7O2S/c1-20(2)13-12(15)8-16-14(18-13)21-4-5-22-11(9-21)6-10(19-22)7-17-25(3,23)24/h6,8,17H,4-5,7,9H2,1-3H3.
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]methanesulfonamide?
N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 369.43 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]methanesulfonamide is sourced from PubChem (CID 118775022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).