OQWYDRATJHQLEE-UHFFFAOYSA-N

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

C₃₃H₃₆F₃N₇O₃S — CID 142484478

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

IUPACbenzyl N-[8-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-yl]carbamate

SMILESO=C(NC1CCCC12CCN(c1cnc3c(Sc4cccnc4C(F)(F)F)nn(C4CCCCO4)c3n1)CC2)OCc1ccccc1

InChIInChI=1S/C33H36F3N7O3S/c34-33(35,36)28-23(10-7-16-37-28)47-30-27-29(43(41-30)26-12-4-5-19-45-26)40-25(20-38-27)42-17-14-32(15-18-42)13-6-11-24(32)39-31(44)46-21-22-8-2-1-3-9-22/h1-3,7-10,16,20,24,26H,4-6,11-15,17-19,21H2,(H,39,44)

InChIKeyOQWYDRATJHQLEE-UHFFFAOYSA-N

MW667.76 g/mol

LogP7.16

Rot. Bonds7

About OQWYDRATJHQLEE-UHFFFAOYSA-N

OQWYDRATJHQLEE-UHFFFAOYSA-N (PubChem CID 142484478) has the molecular formula C₃₃H₃₆F₃N₇O₃S and a molecular weight of 667.76 g/mol. Its IUPAC name is benzyl N-[8-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-yl]carbamate.

Molecular Properties

Compound Name	OQWYDRATJHQLEE-UHFFFAOYSA-N
PubChem CID	142484478
Molecular Formula	C₃₃H₃₆F₃N₇O₃S
Molecular Weight	667.76 g/mol
Exact Mass	667.26
IUPAC Name	benzyl N-[8-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
SMILES	O=C(NC1CCCC12CCN(c1cnc3c(Sc4cccnc4C(F)(F)F)nn(C4CCCCO4)c3n1)CC2)OCc1ccccc1
InChI	InChI=1S/C33H36F3N7O3S/c34-33(35,36)28-23(10-7-16-37-28)47-30-27-29(43(41-30)26-12-4-5-19-45-26)40-25(20-38-27)42-17-14-32(15-18-42)13-6-11-24(32)39-31(44)46-21-22-8-2-1-3-9-22/h1-3,7-10,16,20,24,26H,4-6,11-15,17-19,21H2,(H,39,44)
InChIKey	OQWYDRATJHQLEE-UHFFFAOYSA-N
XLogP	7.16
TPSA	107.29 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	47
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.76
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of OQWYDRATJHQLEE-UHFFFAOYSA-N?

The IUPAC name of OQWYDRATJHQLEE-UHFFFAOYSA-N (CID 142484478) is benzyl N-[8-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-yl]carbamate.

What is the SMILES notation for OQWYDRATJHQLEE-UHFFFAOYSA-N?

The canonical SMILES for OQWYDRATJHQLEE-UHFFFAOYSA-N is O=C(NC1CCCC12CCN(c1cnc3c(Sc4cccnc4C(F)(F)F)nn(C4CCCCO4)c3n1)CC2)OCc1ccccc1.

What is the InChIKey of OQWYDRATJHQLEE-UHFFFAOYSA-N?

The InChIKey is OQWYDRATJHQLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F3N7O3S/c34-33(35,36)28-23(10-7-16-37-28)47-30-27-29(43(41-30)26-12-4-5-19-45-26)40-25(20-38-27)42-17-14-32(15-18-42)13-6-11-24(32)39-31(44)46-21-22-8-2-1-3-9-22/h1-3,7-10,16,20,24,26H,4-6,11-15,17-19,21H2,(H,39,44).

What are the key properties of OQWYDRATJHQLEE-UHFFFAOYSA-N?

OQWYDRATJHQLEE-UHFFFAOYSA-N has a molecular weight of 667.76 g/mol, XLogP of 7.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for OQWYDRATJHQLEE-UHFFFAOYSA-N is sourced from PubChem (CID 142484478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142484478 — identifiers, structure, computed properties (public domain)

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