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

C17H22F2N4O2 — CID 90203617

IUPAC[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/m1/s1
InChIKeyZXJWVSDWNJTBJK-LLVKDONJSA-N
MW352.39 g/mol
LogP2.35
Rot. Bonds5

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

[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 90203617) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
PubChem CID90203617
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/m1/s1
InChIKeyZXJWVSDWNJTBJK-LLVKDONJSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.35
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]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (CID 90203617) is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone is C[C@@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is ZXJWVSDWNJTBJK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 2.35, 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]-[(2R)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 90203617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).