N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide

C25H24F4N4O5 — CID 122503082

About N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide (PubChem CID 122503082) has the molecular formula C25H24F4N4O5 and a molecular weight of 536.48 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide
• PubChem CID: 122503082
• Molecular Formula: C25H24F4N4O5
• Molecular Weight: 536.48 g/mol
• Exact Mass: 536.17
• IUPAC Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide
• SMILES: COc1ccc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)nc1OC
• InChI: InChI=1S/C25H24F4N4O5/c1-23(30)12-38-20-15(23)10-18(33-19(20)13-4-6-14(26)7-5-13)24(35,25(27,28)29)11-31-21(34)16-8-9-17(36-2)22(32-16)37-3/h4-10,35H,11-12,30H2,1-3H3,(H,31,34)
• InChIKey: MMVINPPNXGRXSH-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 128.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.48
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide?

The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide (CID 122503082) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide.

What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide?

The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide is COc1ccc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)nc1OC.

What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide?

The InChIKey is MMVINPPNXGRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O5/c1-23(30)12-38-20-15(23)10-18(33-19(20)13-4-6-14(26)7-5-13)24(35,25(27,28)29)11-31-21(34)16-8-9-17(36-2)22(32-16)37-3/h4-10,35H,11-12,30H2,1-3H3,(H,31,34).

What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide?

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide has a molecular weight of 536.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5,6-dimethoxypyridine-2-carboxamide is sourced from PubChem (CID 122503082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).