N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide

C₁₉H₁₈F₄N₄O₂ — CID 156650761

About N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide

N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 156650761) has the molecular formula C₁₉H₁₈F₄N₄O₂ and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide
• PubChem CID: 156650761
• Molecular Formula: C₁₉H₁₈F₄N₄O₂
• Molecular Weight: 410.37 g/mol
• Exact Mass: 410.14
• IUPAC Name: N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cc(F)c3nn(C)c([C@](C)(O)C(F)(F)F)c3c2)c(C)cn1
• InChI: InChI=1S/C19H18F4N4O2/c1-9-8-24-15(25-10(2)28)7-12(9)11-5-13-16(14(20)6-11)26-27(4)17(13)18(3,29)19(21,22)23/h5-8,29H,1-4H3,(H,24,25,28)/t18-/m0/s1
• InChIKey: AGUTWTKXVUVWHH-SFHVURJKSA-N
• XLogP: 3.81
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.37
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide (CID 156650761) is N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(F)c3nn(C)c([C@](C)(O)C(F)(F)F)c3c2)c(C)cn1.

What is the InChIKey of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?

The InChIKey is AGUTWTKXVUVWHH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-9-8-24-15(25-10(2)28)7-12(9)11-5-13-16(14(20)6-11)26-27(4)17(13)18(3,29)19(21,22)23/h5-8,29H,1-4H3,(H,24,25,28)/t18-/m0/s1.

What are the key properties of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?

N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 410.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 156650761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156650761 — identifiers, structure, computed properties (public domain)

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