N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C26H24N10O2 — CID 170634325

About N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634325) has the molecular formula C26H24N10O2 and a molecular weight of 508.55 g/mol. Its IUPAC name is N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• PubChem CID: 170634325
• Molecular Formula: C26H24N10O2
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.21
• IUPAC Name: N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2Cc3cccnc3C2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
• InChI: InChI=1S/C26H24N10O2/c1-16-21(9-20(11-28-16)30-24(37)15-35-13-18-4-3-6-27-22(18)14-35)31-26(38)25-33-32-23-8-17(5-7-36(23)25)19-10-29-34(2)12-19/h3-12H,13-15H2,1-2H3,(H,30,37)(H,31,38)
• InChIKey: NTILRPHVRRMHGR-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 135.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634325) is N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2Cc3cccnc3C2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12.

What is the InChIKey of N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is NTILRPHVRRMHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O2/c1-16-21(9-20(11-28-16)30-24(37)15-35-13-18-4-3-6-27-22(18)14-35)31-26(38)25-33-32-23-8-17(5-7-36(23)25)19-10-29-34(2)12-19/h3-12H,13-15H2,1-2H3,(H,30,37)(H,31,38).

What are the key properties of N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 508.55 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).