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

C26H23F4N5O5 — CID 139332145

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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 139332145) has the molecular formula C26H23F4N5O5 and a molecular weight of 561.49 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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide
• PubChem CID: 139332145
• Molecular Formula: C26H23F4N5O5
• Molecular Weight: 561.49 g/mol
• Exact Mass: 561.16
• 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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide
• SMILES: COc1nc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)cc2c1NC(=O)C2
• InChI: InChI=1S/C26H23F4N5O5/c1-24(31)11-40-21-15(24)9-17(34-19(21)12-3-5-14(27)6-4-12)25(38,26(28,29)30)10-32-22(37)16-7-13-8-18(36)35-20(13)23(33-16)39-2/h3-7,9,38H,8,10-11,31H2,1-2H3,(H,32,37)(H,35,36)/t24-,25?/m1/s1
• InChIKey: ZTCIUUSGRBHLGL-IKOFQBKESA-N
• XLogP: 2.53
• TPSA: 148.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.49
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide (CID 139332145) 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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide is COc1nc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)cc2c1NC(=O)C2.

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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide?

The InChIKey is ZTCIUUSGRBHLGL-IKOFQBKESA-N. The full InChI is InChI=1S/C26H23F4N5O5/c1-24(31)11-40-21-15(24)9-17(34-19(21)12-3-5-14(27)6-4-12)25(38,26(28,29)30)10-32-22(37)16-7-13-8-18(36)35-20(13)23(33-16)39-2/h3-7,9,38H,8,10-11,31H2,1-2H3,(H,32,37)(H,35,36)/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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 561.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 8 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]-7-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 139332145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).