[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone

C16H18F4N4O2 — CID 90203323

IUPAC[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCC(F)(F)C1
InChIInChI=1S/C16H18F4N4O2/c17-15(18)3-4-23(7-15)14(25)11-5-21-12(24-8-16(19,20)9-24)13(22-11)26-6-10-1-2-10/h5,10H,1-4,6-9H2
InChIKeyJTBMTLQPRDBTQC-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.20
Rot. Bonds5

About [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone

[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 90203323) has the molecular formula C16H18F4N4O2 and a molecular weight of 374.34 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID90203323
Molecular FormulaC16H18F4N4O2
Molecular Weight374.34 g/mol
Exact Mass374.14
IUPAC Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCC(F)(F)C1
InChIInChI=1S/C16H18F4N4O2/c17-15(18)3-4-23(7-15)14(25)11-5-21-12(24-8-16(19,20)9-24)13(22-11)26-6-10-1-2-10/h5,10H,1-4,6-9H2
InChIKeyJTBMTLQPRDBTQC-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 90203323) is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCC(F)(F)C1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is JTBMTLQPRDBTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4O2/c17-15(18)3-4-23(7-15)14(25)11-5-21-12(24-8-16(19,20)9-24)13(22-11)26-6-10-1-2-10/h5,10H,1-4,6-9H2.
What are the key properties of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 374.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 90203323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).