QWIUVXSCUCYBRI-UHFFFAOYSA-N

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

C₃₆H₄₀F₆N₈O₂ — CID 71539630

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

IUPAC3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one

SMILESCc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOC4=O)cn3)cc12

InChIInChI=1S/C36H40F6N8O2/c1-21-29-13-25(30(45-31(29)50(46-21)34(2,3)4)47(17-22-5-6-22)18-23-7-8-23)20-48(32-43-15-28(16-44-32)49-9-10-52-33(49)51)19-24-11-26(35(37,38)39)14-27(12-24)36(40,41)42/h11-16,22-23H,5-10,17-20H2,1-4H3

InChIKeyQWIUVXSCUCYBRI-UHFFFAOYSA-N

MW730.76 g/mol

LogP8.11

Rot. Bonds11

About QWIUVXSCUCYBRI-UHFFFAOYSA-N

QWIUVXSCUCYBRI-UHFFFAOYSA-N (PubChem CID 71539630) has the molecular formula C₃₆H₄₀F₆N₈O₂ and a molecular weight of 730.76 g/mol. Its IUPAC name is 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	QWIUVXSCUCYBRI-UHFFFAOYSA-N
PubChem CID	71539630
Molecular Formula	C₃₆H₄₀F₆N₈O₂
Molecular Weight	730.76 g/mol
Exact Mass	730.32
IUPAC Name	3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILES	Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOC4=O)cn3)cc12
InChI	InChI=1S/C36H40F6N8O2/c1-21-29-13-25(30(45-31(29)50(46-21)34(2,3)4)47(17-22-5-6-22)18-23-7-8-23)20-48(32-43-15-28(16-44-32)49-9-10-52-33(49)51)19-24-11-26(35(37,38)39)14-27(12-24)36(40,41)42/h11-16,22-23H,5-10,17-20H2,1-4H3
InChIKey	QWIUVXSCUCYBRI-UHFFFAOYSA-N
XLogP	8.11
TPSA	92.51 Å²
H-Bond Donors
H-Bond Acceptors	9
Rotatable Bonds	11
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.76
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of QWIUVXSCUCYBRI-UHFFFAOYSA-N (CID 71539630) is 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for QWIUVXSCUCYBRI-UHFFFAOYSA-N is Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOC4=O)cn3)cc12.

What is the InChIKey of QWIUVXSCUCYBRI-UHFFFAOYSA-N?

The InChIKey is QWIUVXSCUCYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40F6N8O2/c1-21-29-13-25(30(45-31(29)50(46-21)34(2,3)4)47(17-22-5-6-22)18-23-7-8-23)20-48(32-43-15-28(16-44-32)49-9-10-52-33(49)51)19-24-11-26(35(37,38)39)14-27(12-24)36(40,41)42/h11-16,22-23H,5-10,17-20H2,1-4H3.

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

QWIUVXSCUCYBRI-UHFFFAOYSA-N has a molecular weight of 730.76 g/mol, XLogP of 8.11, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for QWIUVXSCUCYBRI-UHFFFAOYSA-N is sourced from PubChem (CID 71539630), 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 71539630 — identifiers, structure, computed properties (public domain)

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