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

C19H18F3N7O2 — CID 139343660

IUPAC7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CC2)C1
InChIInChI=1S/C19H18F3N7O2/c20-19(21,22)13-9-29-12(7-25-15(29)8-24-13)16-23-4-1-14(26-16)27-5-2-18(3-6-27)10-28(11-18)17(30)31/h1,4,7-9H,2-3,5-6,10-11H2,(H,30,31)
InChIKeyNGLLVARBZDXZJQ-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.79
Rot. Bonds2

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

7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 139343660) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
PubChem CID139343660
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CC2)C1
InChIInChI=1S/C19H18F3N7O2/c20-19(21,22)13-9-29-12(7-25-15(29)8-24-13)16-23-4-1-14(26-16)27-5-2-18(3-6-27)10-28(11-18)17(30)31/h1,4,7-9H,2-3,5-6,10-11H2,(H,30,31)
InChIKeyNGLLVARBZDXZJQ-UHFFFAOYSA-N
XLogP2.79
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid (CID 139343660) is 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid is O=C(O)N1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CC2)C1.
What is the InChIKey of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is NGLLVARBZDXZJQ-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)27-5-2-18(3-6-27)10-28(11-18)17(30)31/h1,4,7-9H,2-3,5-6,10-11H2,(H,30,31).
What are the key properties of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-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 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 139343660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).