GVNWDHIJCHEARU-UHFFFAOYSA-N

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

C₂₃H₂₀F₃N₃O₃ — CID 59437326

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

IUPACcyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate

SMILESCn1cc(C(O)(c2ccc3c(cnn3C(=O)OCC3CC3)c2)C(F)(F)F)c2ccccc21

InChIInChI=1S/C23H20F3N3O3/c1-28-12-18(17-4-2-3-5-20(17)28)22(31,23(24,25)26)16-8-9-19-15(10-16)11-27-29(19)21(30)32-13-14-6-7-14/h2-5,8-12,14,31H,6-7,13H2,1H3

InChIKeyGVNWDHIJCHEARU-UHFFFAOYSA-N

MW443.43 g/mol

LogP4.72

Rot. Bonds4

About GVNWDHIJCHEARU-UHFFFAOYSA-N

GVNWDHIJCHEARU-UHFFFAOYSA-N (PubChem CID 59437326) has the molecular formula C₂₃H₂₀F₃N₃O₃ and a molecular weight of 443.43 g/mol. Its IUPAC name is cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate.

Molecular Properties

Compound Name	GVNWDHIJCHEARU-UHFFFAOYSA-N
PubChem CID	59437326
Molecular Formula	C₂₃H₂₀F₃N₃O₃
Molecular Weight	443.43 g/mol
Exact Mass	443.15
IUPAC Name	cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
SMILES	Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OCC3CC3)c2)C(F)(F)F)c2ccccc21
InChI	InChI=1S/C23H20F3N3O3/c1-28-12-18(17-4-2-3-5-20(17)28)22(31,23(24,25)26)16-8-9-19-15(10-16)11-27-29(19)21(30)32-13-14-6-7-14/h2-5,8-12,14,31H,6-7,13H2,1H3
InChIKey	GVNWDHIJCHEARU-UHFFFAOYSA-N
XLogP	4.72
TPSA	69.28 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of GVNWDHIJCHEARU-UHFFFAOYSA-N (CID 59437326) is cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate.

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

The canonical SMILES for GVNWDHIJCHEARU-UHFFFAOYSA-N is Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OCC3CC3)c2)C(F)(F)F)c2ccccc21.

What is the InChIKey of GVNWDHIJCHEARU-UHFFFAOYSA-N?

The InChIKey is GVNWDHIJCHEARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-28-12-18(17-4-2-3-5-20(17)28)22(31,23(24,25)26)16-8-9-19-15(10-16)11-27-29(19)21(30)32-13-14-6-7-14/h2-5,8-12,14,31H,6-7,13H2,1H3.

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

GVNWDHIJCHEARU-UHFFFAOYSA-N has a molecular weight of 443.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for GVNWDHIJCHEARU-UHFFFAOYSA-N is sourced from PubChem (CID 59437326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 59437326 — identifiers, structure, computed properties (public domain)

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