MMWXADQPWLFZFH-UHFFFAOYSA-N

C₁₇H₁₈F₃N₇O₂ — CID 146381524

About MMWXADQPWLFZFH-UHFFFAOYSA-N

MMWXADQPWLFZFH-UHFFFAOYSA-N (PubChem CID 146381524) has the molecular formula C₁₇H₁₈F₃N₇O₂ and a molecular weight of 409.37 g/mol. Its IUPAC name is 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: MMWXADQPWLFZFH-UHFFFAOYSA-N
• PubChem CID: 146381524
• Molecular Formula: C₁₇H₁₈F₃N₇O₂
• Molecular Weight: 409.37 g/mol
• Exact Mass: 409.15
• IUPAC Name: 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
• SMILES: COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
• InChI: InChI=1S/C17H18F3N7O2/c1-10(2)27-9-21-24-14(27)12-5-4-6-13(22-12)23-15(28)11-7-26(8-17(18,19)20)25-16(11)29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28)
• InChIKey: MMWXADQPWLFZFH-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.37
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of MMWXADQPWLFZFH-UHFFFAOYSA-N (CID 146381524) is 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

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

The canonical SMILES for MMWXADQPWLFZFH-UHFFFAOYSA-N is COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.

What is the InChIKey of MMWXADQPWLFZFH-UHFFFAOYSA-N?

The InChIKey is MMWXADQPWLFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-10(2)27-9-21-24-14(27)12-5-4-6-13(22-12)23-15(28)11-7-26(8-17(18,19)20)25-16(11)29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28).

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

MMWXADQPWLFZFH-UHFFFAOYSA-N has a molecular weight of 409.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for MMWXADQPWLFZFH-UHFFFAOYSA-N is sourced from PubChem (CID 146381524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146381524 — identifiers, structure, computed properties (public domain)

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