3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine

C18H27F2N3 — CID 171827242

IUPAC3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)CC12CCCN1C(CCc1nccnc1C(F)F)CC2
InChIInChI=1S/C18H27F2N3/c1-13(2)12-18-7-3-11-23(18)14(6-8-18)4-5-15-16(17(19)20)22-10-9-21-15/h9-10,13-14,17H,3-8,11-12H2,1-2H3
InChIKeyIHCRVWGOMQMKEG-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.39
Rot. Bonds6

About 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine

3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 171827242) has the molecular formula C18H27F2N3 and a molecular weight of 323.43 g/mol. Its IUPAC name is 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID171827242
Molecular FormulaC18H27F2N3
Molecular Weight323.43 g/mol
Exact Mass323.22
IUPAC Name3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)CC12CCCN1C(CCc1nccnc1C(F)F)CC2
InChIInChI=1S/C18H27F2N3/c1-13(2)12-18-7-3-11-23(18)14(6-8-18)4-5-15-16(17(19)20)22-10-9-21-15/h9-10,13-14,17H,3-8,11-12H2,1-2H3
InChIKeyIHCRVWGOMQMKEG-UHFFFAOYSA-N
XLogP4.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

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Related Compounds

3-(3-Propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 44334339
3-(3-Propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 54584690
(3S)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454463
(3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71459873
3-[2-[6-(Difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 171827146
3-[2-[5-(Difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 171827255
2-(1,1-Difluoropropyl)-3-propan-2-ylpyrazine
CID 171833048
2-Propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine
CID 174275477
8-Propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176954834
3-(3-Propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 44334300
3-(3-Ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784201
(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750214

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 171827242) is 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)CC12CCCN1C(CCc1nccnc1C(F)F)CC2.
What is the InChIKey of 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IHCRVWGOMQMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3/c1-13(2)12-18-7-3-11-23(18)14(6-8-18)4-5-15-16(17(19)20)22-10-9-21-15/h9-10,13-14,17H,3-8,11-12H2,1-2H3.
What are the key properties of 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 323.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 171827242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).