4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C24H27N7O2 — CID 171437434

About 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171437434) has the molecular formula C24H27N7O2 and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• PubChem CID: 171437434
• Molecular Formula: C24H27N7O2
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.24
• IUPAC Name: 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(C)cn2)cc1Nc1cn(C)c2c(C)cn(CC)c(=O)c12
• InChI: InChI=1S/C24H27N7O2/c1-6-31-12-15(3)22-21(24(31)33)18(13-30(22)5)28-17-9-20(27-11-16(17)23(32)25-4)29-19-8-7-14(2)10-26-19/h7-13H,6H2,1-5H3,(H,25,32)(H2,26,27,28,29)/i4D3
• InChIKey: WXNLFEAULUBNHS-GKOSEXJESA-N
• XLogP: 3.61
• TPSA: 105.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The IUPAC name of 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171437434) is 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The canonical SMILES for 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(C)cn2)cc1Nc1cn(C)c2c(C)cn(CC)c(=O)c12.

What is the InChIKey of 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The InChIKey is WXNLFEAULUBNHS-GKOSEXJESA-N. The full InChI is InChI=1S/C24H27N7O2/c1-6-31-12-15(3)22-21(24(31)33)18(13-30(22)5)28-17-9-20(27-11-16(17)23(32)25-4)29-19-8-7-14(2)10-26-19/h7-13H,6H2,1-5H3,(H,25,32)(H2,26,27,28,29)/i4D3.

What are the key properties of 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171437434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).