2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

C20H19F2N5 — CID 54675486

IUPAC2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESFC1(F)CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C20H19F2N5/c21-20(22)7-10-26(13-20)19-18(23-8-9-24-19)15-11-27(12-15)17-6-5-14-3-1-2-4-16(14)25-17/h1-6,8-9,15H,7,10-13H2
InChIKeyAFBDLPUKRPUWJW-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.47
Rot. Bonds3

About 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 54675486) has the molecular formula C20H19F2N5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID54675486
Molecular FormulaC20H19F2N5
Molecular Weight367.40 g/mol
Exact Mass367.16
IUPAC Name2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESFC1(F)CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C20H19F2N5/c21-20(22)7-10-26(13-20)19-18(23-8-9-24-19)15-11-27(12-15)17-6-5-14-3-1-2-4-16(14)25-17/h1-6,8-9,15H,7,10-13H2
InChIKeyAFBDLPUKRPUWJW-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 54675486) is 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is FC1(F)CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is AFBDLPUKRPUWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5/c21-20(22)7-10-26(13-20)19-18(23-8-9-24-19)15-11-27(12-15)17-6-5-14-3-1-2-4-16(14)25-17/h1-6,8-9,15H,7,10-13H2.
What are the key properties of 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 367.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 54675486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).