N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H17FN4O2S — CID 56890807

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESO=S1(=O)CCC(CNc2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C17H17FN4O2S/c18-14-4-2-1-3-13(14)15-9-17(22-16(21-15)5-7-20-22)19-10-12-6-8-25(23,24)11-12/h1-5,7,9,12,19H,6,8,10-11H2
InChIKeyMULXEMJUSDKJDK-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.38
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56890807) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56890807
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESO=S1(=O)CCC(CNc2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C17H17FN4O2S/c18-14-4-2-1-3-13(14)15-9-17(22-16(21-15)5-7-20-22)19-10-12-6-8-25(23,24)11-12/h1-5,7,9,12,19H,6,8,10-11H2
InChIKeyMULXEMJUSDKJDK-UHFFFAOYSA-N
XLogP2.38
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909518
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888835
N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70762722
1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone
CID 95727075
5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889061
5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56896235
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56883490
5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56887594
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 133126009
(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 95871596
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918733

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56890807) is N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is O=S1(=O)CCC(CNc2cc(-c3ccccc3F)nc3ccnn23)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MULXEMJUSDKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-14-4-2-1-3-13(14)15-9-17(22-16(21-15)5-7-20-22)19-10-12-6-8-25(23,24)11-12/h1-5,7,9,12,19H,6,8,10-11H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 360.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56890807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).