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

C18H19N5 — CID 46890824

IUPAC4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(-c2cccc3[nH]ccc23)cn1
InChIInChI=1S/C18H19N5/c1-22-10-13-7-12(22)11-23(13)18-9-20-17(8-21-18)14-3-2-4-16-15(14)5-6-19-16/h2-6,8-9,12-13,19H,7,10-11H2,1H3/t12-,13-/m0/s1
InChIKeyCIXAFKHKIKPJAF-STQMWFEESA-N
MW305.38 g/mol
LogP2.52
Rot. Bonds2

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

4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole (PubChem CID 46890824) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole.

Molecular Properties

Compound Name4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole
PubChem CID46890824
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(-c2cccc3[nH]ccc23)cn1
InChIInChI=1S/C18H19N5/c1-22-10-13-7-12(22)11-23(13)18-9-20-17(8-21-18)14-3-2-4-16-15(14)5-6-19-16/h2-6,8-9,12-13,19H,7,10-11H2,1H3/t12-,13-/m0/s1
InChIKeyCIXAFKHKIKPJAF-STQMWFEESA-N
XLogP2.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole?
The IUPAC name of 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole (CID 46890824) is 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole.
What is the SMILES notation for 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole?
The canonical SMILES for 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole is CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2cccc3[nH]ccc23)cn1.
What is the InChIKey of 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole?
The InChIKey is CIXAFKHKIKPJAF-STQMWFEESA-N. The full InChI is InChI=1S/C18H19N5/c1-22-10-13-7-12(22)11-23(13)18-9-20-17(8-21-18)14-3-2-4-16-15(14)5-6-19-16/h2-6,8-9,12-13,19H,7,10-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole?
4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole has a molecular weight of 305.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole is sourced from PubChem (CID 46890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).