GZWNIVFPBIIRBC-UTKZUKDTSA-N

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

C₂₇H₃₂F₃N₇OS — CID 141454982

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

IUPAC(4S)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine

SMILESCOc1ccc([C@@H](C)N[C@H]2CCCC23CCN(c2nnc(Sc4cccnc4C(F)(F)F)c(N)n2)CC3)cc1

InChIInChI=1S/C27H32F3N7OS/c1-17(18-7-9-19(38-2)10-8-18)33-21-6-3-11-26(21)12-15-37(16-13-26)25-34-23(31)24(35-36-25)39-20-5-4-14-32-22(20)27(28,29)30/h4-5,7-10,14,17,21,33H,3,6,11-13,15-16H2,1-2H3,(H2,31,34,36)/t17-,21+/m1/s1

InChIKeyGZWNIVFPBIIRBC-UTKZUKDTSA-N

MW559.66 g/mol

LogP5.52

Rot. Bonds7

About GZWNIVFPBIIRBC-UTKZUKDTSA-N

GZWNIVFPBIIRBC-UTKZUKDTSA-N (PubChem CID 141454982) has the molecular formula C₂₇H₃₂F₃N₇OS and a molecular weight of 559.66 g/mol. Its IUPAC name is (4S)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name	GZWNIVFPBIIRBC-UTKZUKDTSA-N
PubChem CID	141454982
Molecular Formula	C₂₇H₃₂F₃N₇OS
Molecular Weight	559.66 g/mol
Exact Mass	559.23
IUPAC Name	(4S)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
SMILES	COc1ccc([C@@H](C)N[C@H]2CCCC23CCN(c2nnc(Sc4cccnc4C(F)(F)F)c(N)n2)CC3)cc1
InChI	InChI=1S/C27H32F3N7OS/c1-17(18-7-9-19(38-2)10-8-18)33-21-6-3-11-26(21)12-15-37(16-13-26)25-34-23(31)24(35-36-25)39-20-5-4-14-32-22(20)27(28,29)30/h4-5,7-10,14,17,21,33H,3,6,11-13,15-16H2,1-2H3,(H2,31,34,36)/t17-,21+/m1/s1
InChIKey	GZWNIVFPBIIRBC-UTKZUKDTSA-N
XLogP	5.52
TPSA	102.08 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.66
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of GZWNIVFPBIIRBC-UTKZUKDTSA-N?

The IUPAC name of GZWNIVFPBIIRBC-UTKZUKDTSA-N (CID 141454982) is (4S)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for GZWNIVFPBIIRBC-UTKZUKDTSA-N?

The canonical SMILES for GZWNIVFPBIIRBC-UTKZUKDTSA-N is COc1ccc([C@@H](C)N[C@H]2CCCC23CCN(c2nnc(Sc4cccnc4C(F)(F)F)c(N)n2)CC3)cc1.

What is the InChIKey of GZWNIVFPBIIRBC-UTKZUKDTSA-N?

The InChIKey is GZWNIVFPBIIRBC-UTKZUKDTSA-N. The full InChI is InChI=1S/C27H32F3N7OS/c1-17(18-7-9-19(38-2)10-8-18)33-21-6-3-11-26(21)12-15-37(16-13-26)25-34-23(31)24(35-36-25)39-20-5-4-14-32-22(20)27(28,29)30/h4-5,7-10,14,17,21,33H,3,6,11-13,15-16H2,1-2H3,(H2,31,34,36)/t17-,21+/m1/s1.

What are the key properties of GZWNIVFPBIIRBC-UTKZUKDTSA-N?

GZWNIVFPBIIRBC-UTKZUKDTSA-N has a molecular weight of 559.66 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for GZWNIVFPBIIRBC-UTKZUKDTSA-N is sourced from PubChem (CID 141454982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141454982 — identifiers, structure, computed properties (public domain)

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