WFTILDXTYWLQKY-CYBMUJFWSA-N

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

C₂₂H₂₂F₃N₅O — CID 139349881

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

IUPAC4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1

InChIInChI=1S/C22H22F3N5O/c1-13(8-20-29-26-12-30(20)2)15-4-3-5-17(9-15)27-21(31)18-10-16(14-6-7-14)11-19(28-18)22(23,24)25/h3-5,9-14H,6-8H2,1-2H3,(H,27,31)/t13-/m1/s1

InChIKeyWFTILDXTYWLQKY-CYBMUJFWSA-N

MW429.45 g/mol

LogP4.70

Rot. Bonds6

About WFTILDXTYWLQKY-CYBMUJFWSA-N

WFTILDXTYWLQKY-CYBMUJFWSA-N (PubChem CID 139349881) has the molecular formula C₂₂H₂₂F₃N₅O and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name	WFTILDXTYWLQKY-CYBMUJFWSA-N
PubChem CID	139349881
Molecular Formula	C₂₂H₂₂F₃N₅O
Molecular Weight	429.45 g/mol
Exact Mass	429.18
IUPAC Name	4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILES	C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1
InChI	InChI=1S/C22H22F3N5O/c1-13(8-20-29-26-12-30(20)2)15-4-3-5-17(9-15)27-21(31)18-10-16(14-6-7-14)11-19(28-18)22(23,24)25/h3-5,9-14H,6-8H2,1-2H3,(H,27,31)/t13-/m1/s1
InChIKey	WFTILDXTYWLQKY-CYBMUJFWSA-N
XLogP	4.70
TPSA	72.70 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.45
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of WFTILDXTYWLQKY-CYBMUJFWSA-N?

The IUPAC name of WFTILDXTYWLQKY-CYBMUJFWSA-N (CID 139349881) is 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for WFTILDXTYWLQKY-CYBMUJFWSA-N?

The canonical SMILES for WFTILDXTYWLQKY-CYBMUJFWSA-N is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1.

What is the InChIKey of WFTILDXTYWLQKY-CYBMUJFWSA-N?

The InChIKey is WFTILDXTYWLQKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-13(8-20-29-26-12-30(20)2)15-4-3-5-17(9-15)27-21(31)18-10-16(14-6-7-14)11-19(28-18)22(23,24)25/h3-5,9-14H,6-8H2,1-2H3,(H,27,31)/t13-/m1/s1.

What are the key properties of WFTILDXTYWLQKY-CYBMUJFWSA-N?

WFTILDXTYWLQKY-CYBMUJFWSA-N has a molecular weight of 429.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WFTILDXTYWLQKY-CYBMUJFWSA-N is sourced from PubChem (CID 139349881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139349881 — identifiers, structure, computed properties (public domain)

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