2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol

C27H28FN9O2 — CID 170627543

About 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol

2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol (PubChem CID 170627543) has the molecular formula C27H28FN9O2 and a molecular weight of 529.58 g/mol. Its IUPAC name is 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol
• PubChem CID: 170627543
• Molecular Formula: C27H28FN9O2
• Molecular Weight: 529.58 g/mol
• Exact Mass: 529.23
• IUPAC Name: 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol
• SMILES: CNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3ccc(C(C)(C)O)c(F)n3)ncc12
• InChI: InChI=1S/C27H28FN9O2/c1-27(2,38)20-5-6-21(33-24(20)28)32-22-12-17-18(13-30-22)25(29-3)31-14-19(17)26-34-23-7-4-16(15-37(23)35-26)36-8-10-39-11-9-36/h4-7,12-15,38H,8-11H2,1-3H3,(H,29,31)(H,30,32,33)
• InChIKey: BHFGXDFQCWEUBK-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 125.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.58
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol?

The IUPAC name of 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol (CID 170627543) is 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol is CNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3ccc(C(C)(C)O)c(F)n3)ncc12.

What is the InChIKey of 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol?

The InChIKey is BHFGXDFQCWEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN9O2/c1-27(2,38)20-5-6-21(33-24(20)28)32-22-12-17-18(13-30-22)25(29-3)31-14-19(17)26-34-23-7-4-16(15-37(23)35-26)36-8-10-39-11-9-36/h4-7,12-15,38H,8-11H2,1-3H3,(H,29,31)(H,30,32,33).

What are the key properties of 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol?

2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol has a molecular weight of 529.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 170627543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).