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

C26H22F4N4O3 — CID 122502909

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

N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide (PubChem CID 122502909) has the molecular formula C26H22F4N4O3 and a molecular weight of 514.48 g/mol. Its IUPAC name is N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide
• PubChem CID: 122502909
• Molecular Formula: C26H22F4N4O3
• Molecular Weight: 514.48 g/mol
• Exact Mass: 514.16
• IUPAC Name: N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide
• SMILES: C[C@@]1(N)COc2c1cc(C(O)(CNC(=O)c1ccc3[nH]ccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C26H22F4N4O3/c1-24(31)13-37-22-18(24)11-20(34-21(22)14-2-5-17(27)6-3-14)25(36,26(28,29)30)12-33-23(35)16-4-7-19-15(10-16)8-9-32-19/h2-11,32,36H,12-13,31H2,1H3,(H,33,35)/t24-,25?/m1/s1
• InChIKey: IZRZAWZPBSVYBN-IKOFQBKESA-N
• XLogP: 4.12
• TPSA: 113.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.48
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide?

The IUPAC name of N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide (CID 122502909) is N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide.

What is the SMILES notation for N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide?

The canonical SMILES for N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide is C[C@@]1(N)COc2c1cc(C(O)(CNC(=O)c1ccc3[nH]ccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide?

The InChIKey is IZRZAWZPBSVYBN-IKOFQBKESA-N. The full InChI is InChI=1S/C26H22F4N4O3/c1-24(31)13-37-22-18(24)11-20(34-21(22)14-2-5-17(27)6-3-14)25(36,26(28,29)30)12-33-23(35)16-4-7-19-15(10-16)8-9-32-19/h2-11,32,36H,12-13,31H2,1H3,(H,33,35)/t24-,25?/m1/s1.

What are the key properties of N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide?

N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide has a molecular weight of 514.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 122502909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).