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

C26H31N7O2 — CID 67116153

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)n1
InChIInChI=1S/C26H31N7O2/c1-17-12-18(2)30-26(29-17)32-15-19-13-31(14-20(19)16-32)25(34)21-6-5-9-27-24(21)22-8-10-28-33(22)23-7-3-4-11-35-23/h5-6,8-10,12,19-20,23H,3-4,7,11,13-16H2,1-2H3
InChIKeyAOPDBYZFZMOINE-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.26
Rot. Bonds4

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

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone (PubChem CID 67116153) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone
PubChem CID67116153
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)n1
InChIInChI=1S/C26H31N7O2/c1-17-12-18(2)30-26(29-17)32-15-19-13-31(14-20(19)16-32)25(34)21-6-5-9-27-24(21)22-8-10-28-33(22)23-7-3-4-11-35-23/h5-6,8-10,12,19-20,23H,3-4,7,11,13-16H2,1-2H3
InChIKeyAOPDBYZFZMOINE-UHFFFAOYSA-N
XLogP3.26
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone (CID 67116153) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone?
The InChIKey is AOPDBYZFZMOINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-17-12-18(2)30-26(29-17)32-15-19-13-31(14-20(19)16-32)25(34)21-6-5-9-27-24(21)22-8-10-28-33(22)23-7-3-4-11-35-23/h5-6,8-10,12,19-20,23H,3-4,7,11,13-16H2,1-2H3.
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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone has a molecular weight of 473.58 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 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]-[2-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 67116153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).