[2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone

C21H19F2N5O2 — CID 70981286

IUPAC[2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
SMILESCc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)ncc1F
InChIInChI=1S/C21H19F2N5O2/c1-12-17(23)7-25-21(26-12)28-10-13-8-27(9-14(13)11-28)20(29)15-3-2-4-16(22)18(15)19-24-5-6-30-19/h2-7,13-14H,8-11H2,1H3
InChIKeyAMJDRODUMFEYGO-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.93
Rot. Bonds3

About [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone

[2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone (PubChem CID 70981286) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
PubChem CID70981286
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name[2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
SMILESCc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)ncc1F
InChIInChI=1S/C21H19F2N5O2/c1-12-17(23)7-25-21(26-12)28-10-13-8-27(9-14(13)11-28)20(29)15-3-2-4-16(22)18(15)19-24-5-6-30-19/h2-7,13-14H,8-11H2,1H3
InChIKeyAMJDRODUMFEYGO-UHFFFAOYSA-N
XLogP2.93
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone (CID 70981286) is [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone is Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)ncc1F.
What is the InChIKey of [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
The InChIKey is AMJDRODUMFEYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-12-17(23)7-25-21(26-12)28-10-13-8-27(9-14(13)11-28)20(29)15-3-2-4-16(22)18(15)19-24-5-6-30-19/h2-7,13-14H,8-11H2,1H3.
What are the key properties of [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
[2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone has a molecular weight of 411.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone is sourced from PubChem (CID 70981286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).