N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide

C26H26F3N5O4 — CID 90279505

About N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide

N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 90279505) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide
• PubChem CID: 90279505
• Molecular Formula: C26H26F3N5O4
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.19
• IUPAC Name: N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide
• SMILES: COc1ccc(F)c(-c2nc(C(=O)Nc3cnc4c(c3N3CC(C)C(O)C(N)C3)CCO4)ccc2F)c1F
• InChI: InChI=1S/C26H26F3N5O4/c1-12-10-34(11-16(30)24(12)35)23-13-7-8-38-26(13)31-9-18(23)33-25(36)17-5-3-15(28)22(32-17)20-14(27)4-6-19(37-2)21(20)29/h3-6,9,12,16,24,35H,7-8,10-11,30H2,1-2H3,(H,33,36)
• InChIKey: CAHFZEXEWKZBHJ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 122.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide?

The IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide (CID 90279505) is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide is COc1ccc(F)c(-c2nc(C(=O)Nc3cnc4c(c3N3CC(C)C(O)C(N)C3)CCO4)ccc2F)c1F.

What is the InChIKey of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide?

The InChIKey is CAHFZEXEWKZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-12-10-34(11-16(30)24(12)35)23-13-7-8-38-26(13)31-9-18(23)33-25(36)17-5-3-15(28)22(32-17)20-14(27)4-6-19(37-2)21(20)29/h3-6,9,12,16,24,35H,7-8,10-11,30H2,1-2H3,(H,33,36).

What are the key properties of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide?

N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 529.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 90279505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).