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

C21H24N8O2 — CID 70981815

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone
SMILESCOc1cnc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2cn[nH]n2)c1
InChIInChI=1S/C21H24N8O2/c1-12-4-13(2)25-21(24-12)29-10-14-8-28(9-15(14)11-29)20(30)19-17(18-7-23-27-26-18)5-16(31-3)6-22-19/h4-7,14-15H,8-11H2,1-3H3,(H,23,26,27)
InChIKeyYCMQHLIPNORHFX-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.49
Rot. Bonds4

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

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone (PubChem CID 70981815) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 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]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone
PubChem CID70981815
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone
SMILESCOc1cnc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2cn[nH]n2)c1
InChIInChI=1S/C21H24N8O2/c1-12-4-13(2)25-21(24-12)29-10-14-8-28(9-15(14)11-29)20(30)19-17(18-7-23-27-26-18)5-16(31-3)6-22-19/h4-7,14-15H,8-11H2,1-3H3,(H,23,26,27)
InChIKeyYCMQHLIPNORHFX-UHFFFAOYSA-N
XLogP1.49
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone (CID 70981815) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]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]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone is COc1cnc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2cn[nH]n2)c1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone?
The InChIKey is YCMQHLIPNORHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-12-4-13(2)25-21(24-12)29-10-14-8-28(9-15(14)11-29)20(30)19-17(18-7-23-27-26-18)5-16(31-3)6-22-19/h4-7,14-15H,8-11H2,1-3H3,(H,23,26,27).
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]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone has a molecular weight of 420.48 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 70981815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).