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

C26H30N8O3 — CID 170677663

About N-[5-[6-[2-(2-hydroxypropan-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-[2-(2-hydroxypropan-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 170677663) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[5-[6-[2-(2-hydroxypropan-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-[2-(2-hydroxypropan-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: 170677663
• Molecular Formula: C26H30N8O3
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.24
• IUPAC Name: N-[5-[6-[2-(2-hydroxypropan-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(N4CCOC(C(C)(C)O)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C26H30N8O3/c1-26(2,36)20-14-33(8-9-37-20)16-6-7-22-31-24(32-34(22)13-16)19-12-29-23(27-3)18-11-28-21(10-17(18)19)30-25(35)15-4-5-15/h6-7,10-13,15,20,36H,4-5,8-9,14H2,1-3H3,(H,27,29)(H,28,30,35)
• InChIKey: ZVSDMBINTFNUGX-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 129.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[2-(2-hydroxypropan-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-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677663) is N-[5-[6-[2-(2-hydroxypropan-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-[2-(2-hydroxypropan-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-[2-(2-hydroxypropan-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(N4CCOC(C(C)(C)O)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[6-[2-(2-hydroxypropan-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 ZVSDMBINTFNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3/c1-26(2,36)20-14-33(8-9-37-20)16-6-7-22-31-24(32-34(22)13-16)19-12-29-23(27-3)18-11-28-21(10-17(18)19)30-25(35)15-4-5-15/h6-7,10-13,15,20,36H,4-5,8-9,14H2,1-3H3,(H,27,29)(H,28,30,35).

What are the key properties of N-[5-[6-[2-(2-hydroxypropan-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-[2-(2-hydroxypropan-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 502.58 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[2-(2-hydroxypropan-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 170677663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).