5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid

C18H15F4N5O2 — CID 139344754

IUPAC5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H15F4N5O2/c19-12-5-10(17(28)29)7-26(9-12)15-3-4-23-16(25-15)13-6-24-14-2-1-11(8-27(13)14)18(20,21)22/h1-4,6,8,10,12H,5,7,9H2,(H,28,29)
InChIKeyAYMQOKHUCJXKHG-UHFFFAOYSA-N
MW409.34 g/mol
LogP3.06
Rot. Bonds3

About 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid

5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 139344754) has the molecular formula C18H15F4N5O2 and a molecular weight of 409.34 g/mol. Its IUPAC name is 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID139344754
Molecular FormulaC18H15F4N5O2
Molecular Weight409.34 g/mol
Exact Mass409.12
IUPAC Name5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H15F4N5O2/c19-12-5-10(17(28)29)7-26(9-12)15-3-4-23-16(25-15)13-6-24-14-2-1-11(8-27(13)14)18(20,21)22/h1-4,6,8,10,12H,5,7,9H2,(H,28,29)
InChIKeyAYMQOKHUCJXKHG-UHFFFAOYSA-N
XLogP3.06
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 139344754) is 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid is O=C(O)C1CC(F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is AYMQOKHUCJXKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O2/c19-12-5-10(17(28)29)7-26(9-12)15-3-4-23-16(25-15)13-6-24-14-2-1-11(8-27(13)14)18(20,21)22/h1-4,6,8,10,12H,5,7,9H2,(H,28,29).
What are the key properties of 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 409.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 139344754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).