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

C27H28FN9O2 — CID 170627476

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

2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol (PubChem CID 170627476) has the molecular formula C27H28FN9O2 and a molecular weight of 529.58 g/mol. Its IUPAC name is 2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol
• PubChem CID: 170627476
• Molecular Formula: C27H28FN9O2
• Molecular Weight: 529.58 g/mol
• Exact Mass: 529.23
• IUPAC Name: 2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol
• SMILES: CNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3nccc(C(C)(C)O)c3F)ncc12
• InChI: InChI=1S/C27H28FN9O2/c1-27(2,38)20-6-7-30-26(23(20)28)33-21-12-17-18(13-31-21)24(29-3)32-14-19(17)25-34-22-5-4-16(15-37(22)35-25)36-8-10-39-11-9-36/h4-7,12-15,38H,8-11H2,1-3H3,(H,29,32)(H,30,31,33)
• InChIKey: PPBNXIJOXFQWNR-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

Frequently Asked Questions

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

The IUPAC name of 2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol (CID 170627476) is 2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol.

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

The canonical SMILES for 2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol is CNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3nccc(C(C)(C)O)c3F)ncc12.

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

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

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

2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-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-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 170627476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).