2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane

C15H18FN5 — CID 172899537

IUPAC2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cccnc1N1CC2CC1CN2CCn1cccn1
InChIInChI=1S/C15H18FN5/c16-14-3-1-4-17-15(14)21-11-12-9-13(21)10-19(12)7-8-20-6-2-5-18-20/h1-6,12-13H,7-11H2
InChIKeyYJHDSTZORJNSEI-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.38
Rot. Bonds4

About 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane

2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 172899537) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID172899537
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cccnc1N1CC2CC1CN2CCn1cccn1
InChIInChI=1S/C15H18FN5/c16-14-3-1-4-17-15(14)21-11-12-9-13(21)10-19(12)7-8-20-6-2-5-18-20/h1-6,12-13H,7-11H2
InChIKeyYJHDSTZORJNSEI-UHFFFAOYSA-N
XLogP1.38
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 172899537) is 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane is Fc1cccnc1N1CC2CC1CN2CCn1cccn1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is YJHDSTZORJNSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-14-3-1-4-17-15(14)21-11-12-9-13(21)10-19(12)7-8-20-6-2-5-18-20/h1-6,12-13H,7-11H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 287.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 172899537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).