ZTYPHHAXRXVFCW-CZMMVBKASA-N

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

C₃₂H₃₅F₃N₆O₂ — CID 155324560

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

IUPAC3-[3-[5-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

SMILESCCC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCCO1

InChIInChI=1S/C32H35F3N6O2/c1-3-25-18-40(8-5-9-43-25)17-21-10-26-27(28(11-21)32(33,34)35)19-41(30(26)42)24-7-4-6-23(12-24)31(13-22(14-31)16-36)15-29-38-37-20-39(29)2/h4,6-7,10-12,20,22,25H,3,5,8-9,13-15,17-19H2,1-2H3

InChIKeyZTYPHHAXRXVFCW-UHFFFAOYSA-N

MW592.67 g/mol

LogP5.41

Rot. Bonds7

About ZTYPHHAXRXVFCW-CZMMVBKASA-N

ZTYPHHAXRXVFCW-CZMMVBKASA-N (PubChem CID 155324560) has the molecular formula C₃₂H₃₅F₃N₆O₂ and a molecular weight of 592.67 g/mol. Its IUPAC name is 3-[3-[5-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name	ZTYPHHAXRXVFCW-CZMMVBKASA-N
PubChem CID	155324560
Molecular Formula	C₃₂H₃₅F₃N₆O₂
Molecular Weight	592.67 g/mol
Exact Mass	592.28
IUPAC Name	3-[3-[5-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILES	CCC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCCO1
InChI	InChI=1S/C32H35F3N6O2/c1-3-25-18-40(8-5-9-43-25)17-21-10-26-27(28(11-21)32(33,34)35)19-41(30(26)42)24-7-4-6-23(12-24)31(13-22(14-31)16-36)15-29-38-37-20-39(29)2/h4,6-7,10-12,20,22,25H,3,5,8-9,13-15,17-19H2,1-2H3
InChIKey	ZTYPHHAXRXVFCW-UHFFFAOYSA-N
XLogP	5.41
TPSA	87.28 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.67
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ZTYPHHAXRXVFCW-CZMMVBKASA-N?

The IUPAC name of ZTYPHHAXRXVFCW-CZMMVBKASA-N (CID 155324560) is 3-[3-[5-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

What is the SMILES notation for ZTYPHHAXRXVFCW-CZMMVBKASA-N?

The canonical SMILES for ZTYPHHAXRXVFCW-CZMMVBKASA-N is CCC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCCO1.

What is the InChIKey of ZTYPHHAXRXVFCW-CZMMVBKASA-N?

The InChIKey is ZTYPHHAXRXVFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O2/c1-3-25-18-40(8-5-9-43-25)17-21-10-26-27(28(11-21)32(33,34)35)19-41(30(26)42)24-7-4-6-23(12-24)31(13-22(14-31)16-36)15-29-38-37-20-39(29)2/h4,6-7,10-12,20,22,25H,3,5,8-9,13-15,17-19H2,1-2H3.

What are the key properties of ZTYPHHAXRXVFCW-CZMMVBKASA-N?

ZTYPHHAXRXVFCW-CZMMVBKASA-N has a molecular weight of 592.67 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ZTYPHHAXRXVFCW-CZMMVBKASA-N is sourced from PubChem (CID 155324560), 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 155324560 — identifiers, structure, computed properties (public domain)

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