N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C27H32N8O3 — CID 170678071

About N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170678071) has the molecular formula C27H32N8O3 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170678071
• Molecular Formula: C27H32N8O3
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.26
• IUPAC Name: N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CNc1ncc(-c2nc3ccc(N4CCO[C@@H](C(C)(C)OC)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C27H32N8O3/c1-27(2,37-4)21-15-34(9-10-38-21)17-7-8-23-32-25(33-35(23)14-17)20-13-30-24(28-3)19-12-29-22(11-18(19)20)31-26(36)16-5-6-16/h7-8,11-14,16,21H,5-6,9-10,15H2,1-4H3,(H,28,30)(H,29,31,36)/t21-/m1/s1
• InChIKey: PFFKWPRREVOWOO-OAQYLSRUSA-N
• XLogP: 3.36
• TPSA: 118.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170678071) is N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2nc3ccc(N4CCO[C@@H](C(C)(C)OC)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is PFFKWPRREVOWOO-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H32N8O3/c1-27(2,37-4)21-15-34(9-10-38-21)17-7-8-23-32-25(33-35(23)14-17)20-13-30-24(28-3)19-12-29-22(11-18(19)20)31-26(36)16-5-6-16/h7-8,11-14,16,21H,5-6,9-10,15H2,1-4H3,(H,28,30)(H,29,31,36)/t21-/m1/s1.

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

N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 516.61 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170678071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).