XYHWOHGHDYEMRQ-UHFFFAOYSA-N

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

C₂₂H₁₈F₃N₅O₂ — CID 118663927

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

IUPACmethyl 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

SMILESCOC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1

InChIInChI=1S/C22H18F3N5O2/c1-12(26)16-5-3-6-17(28-16)13-9-14(21(31)32-2)15-11-27-30(18(15)10-13)20-8-4-7-19(29-20)22(23,24)25/h3-12H,26H2,1-2H3

InChIKeyXYHWOHGHDYEMRQ-UHFFFAOYSA-N

MW441.41 g/mol

LogP4.31

Rot. Bonds4

About XYHWOHGHDYEMRQ-UHFFFAOYSA-N

XYHWOHGHDYEMRQ-UHFFFAOYSA-N (PubChem CID 118663927) has the molecular formula C₂₂H₁₈F₃N₅O₂ and a molecular weight of 441.41 g/mol. Its IUPAC name is methyl 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

Compound Name	XYHWOHGHDYEMRQ-UHFFFAOYSA-N
PubChem CID	118663927
Molecular Formula	C₂₂H₁₈F₃N₅O₂
Molecular Weight	441.41 g/mol
Exact Mass	441.14
IUPAC Name	methyl 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILES	COC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChI	InChI=1S/C22H18F3N5O2/c1-12(26)16-5-3-6-17(28-16)13-9-14(21(31)32-2)15-11-27-30(18(15)10-13)20-8-4-7-19(29-20)22(23,24)25/h3-12H,26H2,1-2H3
InChIKey	XYHWOHGHDYEMRQ-UHFFFAOYSA-N
XLogP	4.31
TPSA	95.92 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.41
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of XYHWOHGHDYEMRQ-UHFFFAOYSA-N (CID 118663927) is methyl 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

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

The canonical SMILES for XYHWOHGHDYEMRQ-UHFFFAOYSA-N is COC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.

What is the InChIKey of XYHWOHGHDYEMRQ-UHFFFAOYSA-N?

The InChIKey is XYHWOHGHDYEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-12(26)16-5-3-6-17(28-16)13-9-14(21(31)32-2)15-11-27-30(18(15)10-13)20-8-4-7-19(29-20)22(23,24)25/h3-12H,26H2,1-2H3.

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

XYHWOHGHDYEMRQ-UHFFFAOYSA-N has a molecular weight of 441.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for XYHWOHGHDYEMRQ-UHFFFAOYSA-N is sourced from PubChem (CID 118663927), 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 118663927 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.