IGBQRWWIVGGEOP-UHFFFAOYSA-N

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

C₂₃H₂₄F₃N₇O₂ — CID 139365756

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

IUPAC2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F

InChIInChI=1S/C23H24F3N7O2/c1-12(2)33-22(29-17-7-8-18-16(13(17)3)10-28-31-18)30-20(32-33)14-5-6-15(19(9-14)35-4)21(34)27-11-23(24,25)26/h5-10,12H,11H2,1-4H3,(H,27,34)(H,28,31)(H,29,30,32)

InChIKeyIGBQRWWIVGGEOP-UHFFFAOYSA-N

MW487.49 g/mol

LogP4.76

Rot. Bonds7

About IGBQRWWIVGGEOP-UHFFFAOYSA-N

IGBQRWWIVGGEOP-UHFFFAOYSA-N (PubChem CID 139365756) has the molecular formula C₂₃H₂₄F₃N₇O₂ and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name	IGBQRWWIVGGEOP-UHFFFAOYSA-N
PubChem CID	139365756
Molecular Formula	C₂₃H₂₄F₃N₇O₂
Molecular Weight	487.49 g/mol
Exact Mass	487.19
IUPAC Name	2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILES	COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F
InChI	InChI=1S/C23H24F3N7O2/c1-12(2)33-22(29-17-7-8-18-16(13(17)3)10-28-31-18)30-20(32-33)14-5-6-15(19(9-14)35-4)21(34)27-11-23(24,25)26/h5-10,12H,11H2,1-4H3,(H,27,34)(H,28,31)(H,29,30,32)
InChIKey	IGBQRWWIVGGEOP-UHFFFAOYSA-N
XLogP	4.76
TPSA	109.75 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of IGBQRWWIVGGEOP-UHFFFAOYSA-N (CID 139365756) is 2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

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

The canonical SMILES for IGBQRWWIVGGEOP-UHFFFAOYSA-N is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F.

What is the InChIKey of IGBQRWWIVGGEOP-UHFFFAOYSA-N?

The InChIKey is IGBQRWWIVGGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-12(2)33-22(29-17-7-8-18-16(13(17)3)10-28-31-18)30-20(32-33)14-5-6-15(19(9-14)35-4)21(34)27-11-23(24,25)26/h5-10,12H,11H2,1-4H3,(H,27,34)(H,28,31)(H,29,30,32).

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

IGBQRWWIVGGEOP-UHFFFAOYSA-N has a molecular weight of 487.49 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for IGBQRWWIVGGEOP-UHFFFAOYSA-N is sourced from PubChem (CID 139365756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139365756 — identifiers, structure, computed properties (public domain)

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