BVYHYYGHJFBPTD-UHFFFAOYSA-N

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

C₂₂H₁₅F₆N₃O₂ — CID 118335483

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

IUPAC2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12

InChIInChI=1S/C22H15F6N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32)

InChIKeyBVYHYYGHJFBPTD-UHFFFAOYSA-N

MW467.37 g/mol

LogP6.28

Rot. Bonds4

About BVYHYYGHJFBPTD-UHFFFAOYSA-N

BVYHYYGHJFBPTD-UHFFFAOYSA-N (PubChem CID 118335483) has the molecular formula C₂₂H₁₅F₆N₃O₂ and a molecular weight of 467.37 g/mol. Its IUPAC name is 2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name	BVYHYYGHJFBPTD-UHFFFAOYSA-N
PubChem CID	118335483
Molecular Formula	C₂₂H₁₅F₆N₃O₂
Molecular Weight	467.37 g/mol
Exact Mass	467.11
IUPAC Name	2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILES	Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12
InChI	InChI=1S/C22H15F6N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32)
InChIKey	BVYHYYGHJFBPTD-UHFFFAOYSA-N
XLogP	6.28
TPSA	60.06 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.37
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of BVYHYYGHJFBPTD-UHFFFAOYSA-N (CID 118335483) is 2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

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

The canonical SMILES for BVYHYYGHJFBPTD-UHFFFAOYSA-N is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.

What is the InChIKey of BVYHYYGHJFBPTD-UHFFFAOYSA-N?

The InChIKey is BVYHYYGHJFBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32).

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

BVYHYYGHJFBPTD-UHFFFAOYSA-N has a molecular weight of 467.37 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for BVYHYYGHJFBPTD-UHFFFAOYSA-N is sourced from PubChem (CID 118335483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118335483 — identifiers, structure, computed properties (public domain)

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