ZOYLKWXVOOZEEY-VSGBNLITSA-N

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

C₂₉H₂₉F₄N₃O₆ — CID 122503421

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

IUPACN-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethoxy)benzamide

SMILESC[C@@]1(N)COc2c1cc([C@](O)(CNC(=O)c1ccc(OCCO)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1

InChIInChI=1S/C29H29F4N3O6/c1-27(34)15-41-25-20(27)13-23(36-24(25)16-2-5-18(30)6-3-16)28(39,29(31,32)33)14-35-26(38)17-4-9-21(40-11-10-37)22(12-17)42-19-7-8-19/h2-6,9,12-13,19,37,39H,7-8,10-11,14-15,34H2,1H3,(H,35,38)/t27-,28-/m1/s1

InChIKeyZOYLKWXVOOZEEY-VSGBNLITSA-N

MW591.56 g/mol

LogP3.55

Rot. Bonds10

About ZOYLKWXVOOZEEY-VSGBNLITSA-N

ZOYLKWXVOOZEEY-VSGBNLITSA-N (PubChem CID 122503421) has the molecular formula C₂₉H₂₉F₄N₃O₆ and a molecular weight of 591.56 g/mol. Its IUPAC name is N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name	ZOYLKWXVOOZEEY-VSGBNLITSA-N
PubChem CID	122503421
Molecular Formula	C₂₉H₂₉F₄N₃O₆
Molecular Weight	591.56 g/mol
Exact Mass	591.20
IUPAC Name	N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethoxy)benzamide
SMILES	C[C@@]1(N)COc2c1cc([C@](O)(CNC(=O)c1ccc(OCCO)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChI	InChI=1S/C29H29F4N3O6/c1-27(34)15-41-25-20(27)13-23(36-24(25)16-2-5-18(30)6-3-16)28(39,29(31,32)33)14-35-26(38)17-4-9-21(40-11-10-37)22(12-17)42-19-7-8-19/h2-6,9,12-13,19,37,39H,7-8,10-11,14-15,34H2,1H3,(H,35,38)/t27-,28-/m1/s1
InChIKey	ZOYLKWXVOOZEEY-VSGBNLITSA-N
XLogP	3.55
TPSA	136.16 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ZOYLKWXVOOZEEY-VSGBNLITSA-N?

The IUPAC name of ZOYLKWXVOOZEEY-VSGBNLITSA-N (CID 122503421) is N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethoxy)benzamide.

What is the SMILES notation for ZOYLKWXVOOZEEY-VSGBNLITSA-N?

The canonical SMILES for ZOYLKWXVOOZEEY-VSGBNLITSA-N is C[C@@]1(N)COc2c1cc([C@](O)(CNC(=O)c1ccc(OCCO)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of ZOYLKWXVOOZEEY-VSGBNLITSA-N?

The InChIKey is ZOYLKWXVOOZEEY-VSGBNLITSA-N. The full InChI is InChI=1S/C29H29F4N3O6/c1-27(34)15-41-25-20(27)13-23(36-24(25)16-2-5-18(30)6-3-16)28(39,29(31,32)33)14-35-26(38)17-4-9-21(40-11-10-37)22(12-17)42-19-7-8-19/h2-6,9,12-13,19,37,39H,7-8,10-11,14-15,34H2,1H3,(H,35,38)/t27-,28-/m1/s1.

What are the key properties of ZOYLKWXVOOZEEY-VSGBNLITSA-N?

ZOYLKWXVOOZEEY-VSGBNLITSA-N has a molecular weight of 591.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ZOYLKWXVOOZEEY-VSGBNLITSA-N is sourced from PubChem (CID 122503421), 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 122503421 — identifiers, structure, computed properties (public domain)

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