N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

C26H33F3N6O3 — CID 135375942

About N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375942) has the molecular formula C26H33F3N6O3 and a molecular weight of 534.58 g/mol. Its IUPAC name is N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
• PubChem CID: 135375942
• Molecular Formula: C26H33F3N6O3
• Molecular Weight: 534.58 g/mol
• Exact Mass: 534.26
• IUPAC Name: N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
• SMILES: CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(N5CCOCC5)cc(C(F)(F)F)c4)C3)C2)c1
• InChI: InChI=1S/C26H33F3N6O3/c1-19(36)31(2)23-14-30-35(16-23)24(37)34-6-4-25(18-34)3-5-32(17-25)15-20-11-21(26(27,28)29)13-22(12-20)33-7-9-38-10-8-33/h11-14,16H,3-10,15,17-18H2,1-2H3
• InChIKey: KYYSOAOMUBLNPV-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 74.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.58
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?

The IUPAC name of N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (CID 135375942) is N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.

What is the SMILES notation for N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?

The canonical SMILES for N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(N5CCOCC5)cc(C(F)(F)F)c4)C3)C2)c1.

What is the InChIKey of N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?

The InChIKey is KYYSOAOMUBLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O3/c1-19(36)31(2)23-14-30-35(16-23)24(37)34-6-4-25(18-34)3-5-32(17-25)15-20-11-21(26(27,28)29)13-22(12-20)33-7-9-38-10-8-33/h11-14,16H,3-10,15,17-18H2,1-2H3.

What are the key properties of N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?

N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 534.58 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[1-[7-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).