[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone

C25H25N7O — CID 67117206

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1
InChIInChI=1S/C25H25N7O/c1-16-11-17(2)29-25(28-16)31-14-19-12-30(13-20(19)15-31)24(33)22-8-7-18-5-3-4-6-21(18)23(22)32-26-9-10-27-32/h3-11,19-20H,12-15H2,1-2H3
InChIKeyZQBRHQPBVCQLQD-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.04
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone (PubChem CID 67117206) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone
PubChem CID67117206
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1
InChIInChI=1S/C25H25N7O/c1-16-11-17(2)29-25(28-16)31-14-19-12-30(13-20(19)15-31)24(33)22-8-7-18-5-3-4-6-21(18)23(22)32-26-9-10-27-32/h3-11,19-20H,12-15H2,1-2H3
InChIKeyZQBRHQPBVCQLQD-UHFFFAOYSA-N
XLogP3.04
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone (CID 67117206) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone?
The InChIKey is ZQBRHQPBVCQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-16-11-17(2)29-25(28-16)31-14-19-12-30(13-20(19)15-31)24(33)22-8-7-18-5-3-4-6-21(18)23(22)32-26-9-10-27-32/h3-11,19-20H,12-15H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone has a molecular weight of 439.52 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone is sourced from PubChem (CID 67117206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).