N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide

C29H28F4N4O5 — CID 122503146

About N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide (PubChem CID 122503146) has the molecular formula C29H28F4N4O5 and a molecular weight of 588.56 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]-1-(2-hydroxyethyl)-7-methoxyindole-5-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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide
• PubChem CID: 122503146
• Molecular Formula: C29H28F4N4O5
• Molecular Weight: 588.56 g/mol
• Exact Mass: 588.20
• 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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide
• SMILES: COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2ccn(CCO)c12
• InChI: InChI=1S/C29H28F4N4O5/c1-27(34)15-42-25-20(27)13-22(36-23(25)16-3-5-19(30)6-4-16)28(40,29(31,32)33)14-35-26(39)18-11-17-7-8-37(9-10-38)24(17)21(12-18)41-2/h3-8,11-13,38,40H,9-10,14-15,34H2,1-2H3,(H,35,39)
• InChIKey: MPVHIJQNMYUEJH-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 131.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.56
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	4
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]-1-(2-hydroxyethyl)-7-methoxyindole-5-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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide (CID 122503146) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(2-hydroxyethyl)-7-methoxyindole-5-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]-1-(2-hydroxyethyl)-7-methoxyindole-5-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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2ccn(CCO)c12.

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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide?

The InChIKey is MPVHIJQNMYUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4O5/c1-27(34)15-42-25-20(27)13-22(36-23(25)16-3-5-19(30)6-4-16)28(40,29(31,32)33)14-35-26(39)18-11-17-7-8-37(9-10-38)24(17)21(12-18)41-2/h3-8,11-13,38,40H,9-10,14-15,34H2,1-2H3,(H,35,39).

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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide?

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide has a molecular weight of 588.56 g/mol, XLogP of 3.59, 8 rotatable bonds, 4 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]-1-(2-hydroxyethyl)-7-methoxyindole-5-carboxamide is sourced from PubChem (CID 122503146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).