2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone

C26H28N6O2 — CID 155226010

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)N5CC6CNCC6C5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H28N6O2/c1-14(2)22-20-9-17(4-5-21(20)29-23(22)16-6-7-28-15(3)8-16)24-30-31-25(34-24)26(33)32-12-18-10-27-11-19(18)13-32/h4-9,14,18-19,27,29H,10-13H2,1-3H3
InChIKeyKQYUQLJNUZNZDL-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.00
Rot. Bonds4

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 155226010) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone
PubChem CID155226010
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)N5CC6CNCC6C5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H28N6O2/c1-14(2)22-20-9-17(4-5-21(20)29-23(22)16-6-7-28-15(3)8-16)24-30-31-25(34-24)26(33)32-12-18-10-27-11-19(18)13-32/h4-9,14,18-19,27,29H,10-13H2,1-3H3
InChIKeyKQYUQLJNUZNZDL-UHFFFAOYSA-N
XLogP4.00
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone (CID 155226010) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone is Cc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)N5CC6CNCC6C5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is KQYUQLJNUZNZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-14(2)22-20-9-17(4-5-21(20)29-23(22)16-6-7-28-15(3)8-16)24-30-31-25(34-24)26(33)32-12-18-10-27-11-19(18)13-32/h4-9,14,18-19,27,29H,10-13H2,1-3H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 456.55 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 155226010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).