N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

C16H16FN7 — CID 118780131

IUPACN-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESFc1cnccc1N1CCn2nc(CNc3ncccn3)cc2C1
InChIInChI=1S/C16H16FN7/c17-14-10-18-5-2-15(14)23-6-7-24-13(11-23)8-12(22-24)9-21-16-19-3-1-4-20-16/h1-5,8,10H,6-7,9,11H2,(H,19,20,21)
InChIKeyAJPYKXXTBRJVOB-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.84
Rot. Bonds4

About N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118780131) has the molecular formula C16H16FN7 and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118780131
Molecular FormulaC16H16FN7
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC NameN-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESFc1cnccc1N1CCn2nc(CNc3ncccn3)cc2C1
InChIInChI=1S/C16H16FN7/c17-14-10-18-5-2-15(14)23-6-7-24-13(11-23)8-12(22-24)9-21-16-19-3-1-4-20-16/h1-5,8,10H,6-7,9,11H2,(H,19,20,21)
InChIKeyAJPYKXXTBRJVOB-UHFFFAOYSA-N
XLogP1.84
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118780131) is N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is Fc1cnccc1N1CCn2nc(CNc3ncccn3)cc2C1.
What is the InChIKey of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is AJPYKXXTBRJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7/c17-14-10-18-5-2-15(14)23-6-7-24-13(11-23)8-12(22-24)9-21-16-19-3-1-4-20-16/h1-5,8,10H,6-7,9,11H2,(H,19,20,21).
What are the key properties of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 325.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118780131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).