WYTAORHJLKHKMN-UHFFFAOYSA-N

C₂₃H₁₉ClF₃N₅O₄ — CID 72696926

About WYTAORHJLKHKMN-UHFFFAOYSA-N

WYTAORHJLKHKMN-UHFFFAOYSA-N (PubChem CID 72696926) has the molecular formula C₂₃H₁₉ClF₃N₅O₄ and a molecular weight of 521.88 g/mol. Its IUPAC name is N-[6-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: WYTAORHJLKHKMN-UHFFFAOYSA-N
• PubChem CID: 72696926
• Molecular Formula: C₂₃H₁₉ClF₃N₅O₄
• Molecular Weight: 521.88 g/mol
• Exact Mass: 521.11
• IUPAC Name: N-[6-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
• SMILES: Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1NC(=O)Nc1ccc(Cl)c(OC(F)(F)F)c1
• InChI: InChI=1S/C23H19ClF3N5O4/c1-12-8-15(35-20-10-19(28-11-29-20)32-21(33)13-2-3-13)5-7-17(12)31-22(34)30-14-4-6-16(24)18(9-14)36-23(25,26)27/h4-11,13H,2-3H2,1H3,(H2,30,31,34)(H,28,29,32,33)
• InChIKey: WYTAORHJLKHKMN-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 114.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.88
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of WYTAORHJLKHKMN-UHFFFAOYSA-N (CID 72696926) is N-[6-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide.

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

The canonical SMILES for WYTAORHJLKHKMN-UHFFFAOYSA-N is Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1NC(=O)Nc1ccc(Cl)c(OC(F)(F)F)c1.

What is the InChIKey of WYTAORHJLKHKMN-UHFFFAOYSA-N?

The InChIKey is WYTAORHJLKHKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O4/c1-12-8-15(35-20-10-19(28-11-29-20)32-21(33)13-2-3-13)5-7-17(12)31-22(34)30-14-4-6-16(24)18(9-14)36-23(25,26)27/h4-11,13H,2-3H2,1H3,(H2,30,31,34)(H,28,29,32,33).

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

WYTAORHJLKHKMN-UHFFFAOYSA-N has a molecular weight of 521.88 g/mol, XLogP of 6.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WYTAORHJLKHKMN-UHFFFAOYSA-N is sourced from PubChem (CID 72696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 72696926 — identifiers, structure, computed properties (public domain)

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