2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C17H19FN4 — CID 172900676

IUPAC2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCc1cccnc1CN1CC2CC1CN2c1ncccc1F
InChIInChI=1S/C17H19FN4/c1-12-4-2-6-19-16(12)11-21-9-14-8-13(21)10-22(14)17-15(18)5-3-7-20-17/h2-7,13-14H,8-11H2,1H3
InChIKeyDFDHRSTWWBMBTF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 172900676) has the molecular formula C17H19FN4 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID172900676
Molecular FormulaC17H19FN4
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCc1cccnc1CN1CC2CC1CN2c1ncccc1F
InChIInChI=1S/C17H19FN4/c1-12-4-2-6-19-16(12)11-21-9-14-8-13(21)10-22(14)17-15(18)5-3-7-20-17/h2-7,13-14H,8-11H2,1H3
InChIKeyDFDHRSTWWBMBTF-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 172900676) is 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is Cc1cccnc1CN1CC2CC1CN2c1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is DFDHRSTWWBMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-12-4-2-6-19-16(12)11-21-9-14-8-13(21)10-22(14)17-15(18)5-3-7-20-17/h2-7,13-14H,8-11H2,1H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 298.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-[(3-methyl-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 172900676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).