5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole

C19H19FN4 — CID 15967656

IUPAC5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole
SMILESFc1ccc2[nH]c(CN3C[C@@H]4C[C@@H]3CN4c3ccccn3)cc2c1
InChIInChI=1S/C19H19FN4/c20-14-4-5-18-13(7-14)8-15(22-18)10-23-11-17-9-16(23)12-24(17)19-3-1-2-6-21-19/h1-8,16-17,22H,9-12H2/t16-,17+/m1/s1
InChIKeyWIZVGNICBRWBSC-SJORKVTESA-N
MW322.39 g/mol
LogP3.17
Rot. Bonds3

About 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole

5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole (PubChem CID 15967656) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole
PubChem CID15967656
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole
SMILESFc1ccc2[nH]c(CN3C[C@@H]4C[C@@H]3CN4c3ccccn3)cc2c1
InChIInChI=1S/C19H19FN4/c20-14-4-5-18-13(7-14)8-15(22-18)10-23-11-17-9-16(23)12-24(17)19-3-1-2-6-21-19/h1-8,16-17,22H,9-12H2/t16-,17+/m1/s1
InChIKeyWIZVGNICBRWBSC-SJORKVTESA-N
XLogP3.17
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole?
The IUPAC name of 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole (CID 15967656) is 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole is Fc1ccc2[nH]c(CN3C[C@@H]4C[C@@H]3CN4c3ccccn3)cc2c1.
What is the InChIKey of 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole?
The InChIKey is WIZVGNICBRWBSC-SJORKVTESA-N. The full InChI is InChI=1S/C19H19FN4/c20-14-4-5-18-13(7-14)8-15(22-18)10-23-11-17-9-16(23)12-24(17)19-3-1-2-6-21-19/h1-8,16-17,22H,9-12H2/t16-,17+/m1/s1.
What are the key properties of 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole?
5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole has a molecular weight of 322.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(1R,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1H-indole is sourced from PubChem (CID 15967656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).