carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one

C23H24N6O3 — CID 162071353

About carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one

carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one (PubChem CID 162071353) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one.

Molecular Properties

• Compound Name: carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
• PubChem CID: 162071353
• Molecular Formula: C23H24N6O3
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.19
• IUPAC Name: carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
• SMILES: CC(C)n1cnnc1-c1cccc(N2Cc3ccc(N4CCCC4)cc3C2=O)n1.O=C=O
• InChI: InChI=1S/C22H24N6O.CO2/c1-15(2)28-14-23-25-21(28)19-6-5-7-20(24-19)27-13-16-8-9-17(12-18(16)22(27)29)26-10-3-4-11-26;2-1-3/h5-9,12,14-15H,3-4,10-11,13H2,1-2H3
• InChIKey: ZBCXVWYYGJEEPG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 101.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one?

The IUPAC name of carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one (CID 162071353) is carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one.

What is the SMILES notation for carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one?

The canonical SMILES for carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one is CC(C)n1cnnc1-c1cccc(N2Cc3ccc(N4CCCC4)cc3C2=O)n1.O=C=O.

What is the InChIKey of carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one?

The InChIKey is ZBCXVWYYGJEEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.CO2/c1-15(2)28-14-23-25-21(28)19-6-5-7-20(24-19)27-13-16-8-9-17(12-18(16)22(27)29)26-10-3-4-11-26;2-1-3/h5-9,12,14-15H,3-4,10-11,13H2,1-2H3;.

What are the key properties of carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one?

carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one has a molecular weight of 432.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one is sourced from PubChem (CID 162071353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).