2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C19H18F3N7O2 — CID 139343919

About 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 139343919) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
• PubChem CID: 139343919
• Molecular Formula: C19H18F3N7O2
• Molecular Weight: 433.39 g/mol
• Exact Mass: 433.15
• IUPAC Name: 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
• SMILES: O=C(O)N1CCC2(CC1)CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2
• InChI: InChI=1S/C19H18F3N7O2/c20-19(21,22)13-9-29-12(7-25-15(29)8-24-13)16-23-4-1-14(26-16)28-10-18(11-28)2-5-27(6-3-18)17(30)31/h1,4,7-9H,2-3,5-6,10-11H2,(H,30,31)
• InChIKey: KCTRYSXXNRZRAG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.39
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The IUPAC name of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 139343919) is 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

What is the SMILES notation for 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The canonical SMILES for 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2.

What is the InChIKey of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The InChIKey is KCTRYSXXNRZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c20-19(21,22)13-9-29-12(7-25-15(29)8-24-13)16-23-4-1-14(26-16)28-10-18(11-28)2-5-27(6-3-18)17(30)31/h1,4,7-9H,2-3,5-6,10-11H2,(H,30,31).

What are the key properties of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 433.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 139343919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).