SYXDKGIQKUTVBF-UHFFFAOYSA-N

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

C₂₅H₂₅F₃N₆O₃ — CID 151931595

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

IUPACN-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide

SMILESCC(C)(C)NC(=O)COc1cccc(-c2nc(Nc3cn[nH]c3)c3cc(OCC(F)(F)F)ccc3n2)c1

InChIInChI=1S/C25H25F3N6O3/c1-24(2,3)34-21(35)13-36-17-6-4-5-15(9-17)22-32-20-8-7-18(37-14-25(26,27)28)10-19(20)23(33-22)31-16-11-29-30-12-16/h4-12H,13-14H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)

InChIKeySYXDKGIQKUTVBF-UHFFFAOYSA-N

MW514.51 g/mol

LogP5.00

Rot. Bonds8

About SYXDKGIQKUTVBF-UHFFFAOYSA-N

SYXDKGIQKUTVBF-UHFFFAOYSA-N (PubChem CID 151931595) has the molecular formula C₂₅H₂₅F₃N₆O₃ and a molecular weight of 514.51 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name	SYXDKGIQKUTVBF-UHFFFAOYSA-N
PubChem CID	151931595
Molecular Formula	C₂₅H₂₅F₃N₆O₃
Molecular Weight	514.51 g/mol
Exact Mass	514.19
IUPAC Name	N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide
SMILES	CC(C)(C)NC(=O)COc1cccc(-c2nc(Nc3cn[nH]c3)c3cc(OCC(F)(F)F)ccc3n2)c1
InChI	InChI=1S/C25H25F3N6O3/c1-24(2,3)34-21(35)13-36-17-6-4-5-15(9-17)22-32-20-8-7-18(37-14-25(26,27)28)10-19(20)23(33-22)31-16-11-29-30-12-16/h4-12H,13-14H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)
InChIKey	SYXDKGIQKUTVBF-UHFFFAOYSA-N
XLogP	5.00
TPSA	114.05 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.51
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of SYXDKGIQKUTVBF-UHFFFAOYSA-N (CID 151931595) is N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide.

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

The canonical SMILES for SYXDKGIQKUTVBF-UHFFFAOYSA-N is CC(C)(C)NC(=O)COc1cccc(-c2nc(Nc3cn[nH]c3)c3cc(OCC(F)(F)F)ccc3n2)c1.

What is the InChIKey of SYXDKGIQKUTVBF-UHFFFAOYSA-N?

The InChIKey is SYXDKGIQKUTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O3/c1-24(2,3)34-21(35)13-36-17-6-4-5-15(9-17)22-32-20-8-7-18(37-14-25(26,27)28)10-19(20)23(33-22)31-16-11-29-30-12-16/h4-12H,13-14H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33).

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

SYXDKGIQKUTVBF-UHFFFAOYSA-N has a molecular weight of 514.51 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SYXDKGIQKUTVBF-UHFFFAOYSA-N is sourced from PubChem (CID 151931595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151931595 — identifiers, structure, computed properties (public domain)

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