2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole

C22H22N6O — CID 118280903

IUPAC2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3ccc4ncc(N5CC6CN(C)CC6C5)nc4n3)ccc2o1
InChIInChI=1S/C22H22N6O/c1-13-24-19-7-14(3-6-20(19)29-13)17-4-5-18-22(25-17)26-21(8-23-18)28-11-15-9-27(2)10-16(15)12-28/h3-8,15-16H,9-12H2,1-2H3
InChIKeyDMWORVURKIRVKL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.14
Rot. Bonds2

About 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole

2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole (PubChem CID 118280903) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole
PubChem CID118280903
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3ccc4ncc(N5CC6CN(C)CC6C5)nc4n3)ccc2o1
InChIInChI=1S/C22H22N6O/c1-13-24-19-7-14(3-6-20(19)29-13)17-4-5-18-22(25-17)26-21(8-23-18)28-11-15-9-27(2)10-16(15)12-28/h3-8,15-16H,9-12H2,1-2H3
InChIKeyDMWORVURKIRVKL-UHFFFAOYSA-N
XLogP3.14
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole (CID 118280903) is 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole is Cc1nc2cc(-c3ccc4ncc(N5CC6CN(C)CC6C5)nc4n3)ccc2o1.
What is the InChIKey of 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole?
The InChIKey is DMWORVURKIRVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-24-19-7-14(3-6-20(19)29-13)17-4-5-18-22(25-17)26-21(8-23-18)28-11-15-9-27(2)10-16(15)12-28/h3-8,15-16H,9-12H2,1-2H3.
What are the key properties of 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole?
2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole has a molecular weight of 386.46 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole is sourced from PubChem (CID 118280903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).