FGQOUATYEKLDPB-BTZRARBUSA-N

Name: FGQOUATYEKLDPB-BTZRARBUSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₂₇F₄N₃O₂ — CID 74220725

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[[(2S,5R,7R)-14-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-2-yl]methyl]acetamide

SMILESCC(=O)NC[C@@]12CC[C@](O)(C(F)(F)F)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12

InChIInChI=1S/C26H27F4N3O2/c1-16(34)31-15-24-9-10-25(35,26(28,29)30)13-19(24)4-2-3-17-12-23-18(11-22(17)24)14-32-33(23)21-7-5-20(27)6-8-21/h5-8,11-12,14,19,35H,2-4,9-10,13,15H2,1H3,(H,31,34)/t19-,24+,25-/m1/s1

InChIKeyFGQOUATYEKLDPB-BTZRARBUSA-N

MW489.51 g/mol

LogP4.97

Rot. Bonds3

About FGQOUATYEKLDPB-BTZRARBUSA-N

FGQOUATYEKLDPB-BTZRARBUSA-N (PubChem CID 74220725) has the molecular formula C₂₆H₂₇F₄N₃O₂ and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[[(2S,5R,7R)-14-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name	FGQOUATYEKLDPB-BTZRARBUSA-N
PubChem CID	74220725
Molecular Formula	C₂₆H₂₇F₄N₃O₂
Molecular Weight	489.51 g/mol
Exact Mass	489.20
IUPAC Name	N-[[(2S,5R,7R)-14-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-2-yl]methyl]acetamide
SMILES	CC(=O)NC[C@@]12CC[C@](O)(C(F)(F)F)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12
InChI	InChI=1S/C26H27F4N3O2/c1-16(34)31-15-24-9-10-25(35,26(28,29)30)13-19(24)4-2-3-17-12-23-18(11-22(17)24)14-32-33(23)21-7-5-20(27)6-8-21/h5-8,11-12,14,19,35H,2-4,9-10,13,15H2,1H3,(H,31,34)/t19-,24+,25-/m1/s1
InChIKey	FGQOUATYEKLDPB-BTZRARBUSA-N
XLogP	4.97
TPSA	67.15 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.51
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of FGQOUATYEKLDPB-BTZRARBUSA-N?

The IUPAC name of FGQOUATYEKLDPB-BTZRARBUSA-N (CID 74220725) is N-[[(2S,5R,7R)-14-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-2-yl]methyl]acetamide.

What is the SMILES notation for FGQOUATYEKLDPB-BTZRARBUSA-N?

The canonical SMILES for FGQOUATYEKLDPB-BTZRARBUSA-N is CC(=O)NC[C@@]12CC[C@](O)(C(F)(F)F)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12.

What is the InChIKey of FGQOUATYEKLDPB-BTZRARBUSA-N?

The InChIKey is FGQOUATYEKLDPB-BTZRARBUSA-N. The full InChI is InChI=1S/C26H27F4N3O2/c1-16(34)31-15-24-9-10-25(35,26(28,29)30)13-19(24)4-2-3-17-12-23-18(11-22(17)24)14-32-33(23)21-7-5-20(27)6-8-21/h5-8,11-12,14,19,35H,2-4,9-10,13,15H2,1H3,(H,31,34)/t19-,24+,25-/m1/s1.

What are the key properties of FGQOUATYEKLDPB-BTZRARBUSA-N?

FGQOUATYEKLDPB-BTZRARBUSA-N has a molecular weight of 489.51 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for FGQOUATYEKLDPB-BTZRARBUSA-N is sourced from PubChem (CID 74220725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 74220725 — identifiers, structure, computed properties (public domain)

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