[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C25H25N7O2 — CID 129179451

IUPAC[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1cccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc12
InChIInChI=1S/C25H25N7O2/c1-16-6-7-22(32-27-8-9-28-32)19(10-16)24(33)30-12-17-14-31(15-18(17)13-30)25-26-11-20-21(29-25)4-3-5-23(20)34-2/h3-11,17-18H,12-15H2,1-2H3
InChIKeyAAHQNZSRCAVABY-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.74
Rot. Bonds4

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

[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 129179451) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID129179451
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1cccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc12
InChIInChI=1S/C25H25N7O2/c1-16-6-7-22(32-27-8-9-28-32)19(10-16)24(33)30-12-17-14-31(15-18(17)13-30)25-26-11-20-21(29-25)4-3-5-23(20)34-2/h3-11,17-18H,12-15H2,1-2H3
InChIKeyAAHQNZSRCAVABY-UHFFFAOYSA-N
XLogP2.74
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]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-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 129179451) is [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is COc1cccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc12.
What is the InChIKey of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is AAHQNZSRCAVABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-16-6-7-22(32-27-8-9-28-32)19(10-16)24(33)30-12-17-14-31(15-18(17)13-30)25-26-11-20-21(29-25)4-3-5-23(20)34-2/h3-11,17-18H,12-15H2,1-2H3.
What are the key properties of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 455.52 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 129179451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).