[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone

C23H23FN6O2 — CID 178180977

IUPAC[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CC3C=C(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1
InChIInChI=1S/C23H23FN6O2/c1-13-21(24)14(2)28-22(27-13)15-8-16-11-29(12-17(16)9-15)23(31)19-5-4-18(32-3)10-20(19)30-25-6-7-26-30/h4-8,10,16-17H,9,11-12H2,1-3H3
InChIKeyGSVRNMQEDZPHJQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.00
Rot. Bonds4

About [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone

[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone (PubChem CID 178180977) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
PubChem CID178180977
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CC3C=C(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1
InChIInChI=1S/C23H23FN6O2/c1-13-21(24)14(2)28-22(27-13)15-8-16-11-29(12-17(16)9-15)23(31)19-5-4-18(32-3)10-20(19)30-25-6-7-26-30/h4-8,10,16-17H,9,11-12H2,1-3H3
InChIKeyGSVRNMQEDZPHJQ-UHFFFAOYSA-N
XLogP3.00
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[5-(3,6-dimethylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 178180967
[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 178180963
[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone
CID 178180973
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-hydroxy-2-(triazol-2-yl)phenyl]methanone
CID 70981223
6-methoxy-2-[5-[5-methyl-2-(triazol-2-yl)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3H-quinazolin-4-one
CID 163836653
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 70981024
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 52917537
[2-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(2-iminoethylidene)hydrazinyl]-4-methoxyphenyl]methanone
CID 163426922
1-[4-methoxy-2-(triazol-2-yl)phenyl]-2-methylprop-2-en-1-one
CID 144870345
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 67116208
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 70981814
[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 134503384

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone (CID 178180977) is [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone is COc1ccc(C(=O)N2CC3C=C(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1.
What is the InChIKey of [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is GSVRNMQEDZPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13-21(24)14(2)28-22(27-13)15-8-16-11-29(12-17(16)9-15)23(31)19-5-4-18(32-3)10-20(19)30-25-6-7-26-30/h4-8,10,16-17H,9,11-12H2,1-3H3.
What are the key properties of [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone?
[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 434.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 178180977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).