4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C22H23N7O — CID 164926724

About 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 164926724) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 164926724
• Molecular Formula: C22H23N7O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: Cc1cc(-c2ncc(Nc3ccc(N4CCNCC4)cn3)c3c2CNC3=O)ccn1
• InChI: InChI=1S/C22H23N7O/c1-14-10-15(4-5-24-14)21-17-12-27-22(30)20(17)18(13-26-21)28-19-3-2-16(11-25-19)29-8-6-23-7-9-29/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,28)(H,27,30)
• InChIKey: IJQNIMKTDCFDGZ-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 95.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 164926724) is 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is Cc1cc(-c2ncc(Nc3ccc(N4CCNCC4)cn3)c3c2CNC3=O)ccn1.

What is the InChIKey of 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is IJQNIMKTDCFDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-10-15(4-5-24-14)21-17-12-27-22(30)20(17)18(13-26-21)28-19-3-2-16(11-25-19)29-8-6-23-7-9-29/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,28)(H,27,30).

What are the key properties of 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 401.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 164926724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).