WCWMATMEWWUAHG-QGZVFWFLSA-N

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

C₂₃H₁₇ClF₆N₆O₂ — CID 155252141

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

IUPAC5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-carboxamide

SMILESNc1ncnn2c(-c3cnc(C(F)(F)F)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)cc(C(F)(F)F)c12

InChIInChI=1S/C23H17ClF6N6O2/c24-13-3-1-11(2-4-13)17(37)5-6-32-21(38)14-7-12(9-33-19(14)23(28,29)30)16-8-15(22(25,26)27)18-20(31)34-10-35-36(16)18/h1-4,7-10,17,37H,5-6H2,(H,32,38)(H2,31,34,35)/t17-/m1/s1

InChIKeyWCWMATMEWWUAHG-QGZVFWFLSA-N

MW558.87 g/mol

LogP4.92

Rot. Bonds6

About WCWMATMEWWUAHG-QGZVFWFLSA-N

WCWMATMEWWUAHG-QGZVFWFLSA-N (PubChem CID 155252141) has the molecular formula C₂₃H₁₇ClF₆N₆O₂ and a molecular weight of 558.87 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name	WCWMATMEWWUAHG-QGZVFWFLSA-N
PubChem CID	155252141
Molecular Formula	C₂₃H₁₇ClF₆N₆O₂
Molecular Weight	558.87 g/mol
Exact Mass	558.10
IUPAC Name	5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILES	Nc1ncnn2c(-c3cnc(C(F)(F)F)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)cc(C(F)(F)F)c12
InChI	InChI=1S/C23H17ClF6N6O2/c24-13-3-1-11(2-4-13)17(37)5-6-32-21(38)14-7-12(9-33-19(14)23(28,29)30)16-8-15(22(25,26)27)18-20(31)34-10-35-36(16)18/h1-4,7-10,17,37H,5-6H2,(H,32,38)(H2,31,34,35)/t17-/m1/s1
InChIKey	WCWMATMEWWUAHG-QGZVFWFLSA-N
XLogP	4.92
TPSA	118.43 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.87
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of WCWMATMEWWUAHG-QGZVFWFLSA-N?

The IUPAC name of WCWMATMEWWUAHG-QGZVFWFLSA-N (CID 155252141) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for WCWMATMEWWUAHG-QGZVFWFLSA-N?

The canonical SMILES for WCWMATMEWWUAHG-QGZVFWFLSA-N is Nc1ncnn2c(-c3cnc(C(F)(F)F)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)cc(C(F)(F)F)c12.

What is the InChIKey of WCWMATMEWWUAHG-QGZVFWFLSA-N?

The InChIKey is WCWMATMEWWUAHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H17ClF6N6O2/c24-13-3-1-11(2-4-13)17(37)5-6-32-21(38)14-7-12(9-33-19(14)23(28,29)30)16-8-15(22(25,26)27)18-20(31)34-10-35-36(16)18/h1-4,7-10,17,37H,5-6H2,(H,32,38)(H2,31,34,35)/t17-/m1/s1.

What are the key properties of WCWMATMEWWUAHG-QGZVFWFLSA-N?

WCWMATMEWWUAHG-QGZVFWFLSA-N has a molecular weight of 558.87 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for WCWMATMEWWUAHG-QGZVFWFLSA-N is sourced from PubChem (CID 155252141), 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 155252141 — 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.