N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C25H28N8O2 — CID 170677805

About N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 170677805) has the molecular formula C25H28N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
• PubChem CID: 170677805
• Molecular Formula: C25H28N8O2
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.25
• IUPAC Name: N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
• SMILES: [2H]C([2H])(C)Nc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)C3CC3C)ncc12
• InChI: InChI=1S/C25H28N8O2/c1-3-26-23-19-12-27-21(29-25(34)17-10-15(17)2)11-18(19)20(13-28-23)24-30-22-5-4-16(14-33(22)31-24)32-6-8-35-9-7-32/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,26,28)(H,27,29,34)/i3D2
• InChIKey: YIQPQPJNRMJOQX-SMZGMGDZSA-N
• XLogP: 3.20
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The IUPAC name of N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 170677805) is N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The canonical SMILES for N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is [2H]C([2H])(C)Nc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)C3CC3C)ncc12.

What is the InChIKey of N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The InChIKey is YIQPQPJNRMJOQX-SMZGMGDZSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-3-26-23-19-12-27-21(29-25(34)17-10-15(17)2)11-18(19)20(13-28-23)24-30-22-5-4-16(14-33(22)31-24)32-6-8-35-9-7-32/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,26,28)(H,27,29,34)/i3D2.

What are the key properties of N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 170677805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).