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

C19H18F3N5O2 — CID 139344887

IUPAC6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C19H18F3N5O2/c1-11-2-3-12(18(28)29)9-26(11)16-6-7-23-17(25-16)14-8-24-15-5-4-13(10-27(14)15)19(20,21)22/h4-8,10-12H,2-3,9H2,1H3,(H,28,29)
InChIKeyDSDNTQLPQNTZTF-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.50
Rot. Bonds3

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

6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 139344887) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID139344887
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C19H18F3N5O2/c1-11-2-3-12(18(28)29)9-26(11)16-6-7-23-17(25-16)14-8-24-15-5-4-13(10-27(14)15)19(20,21)22/h4-8,10-12H,2-3,9H2,1H3,(H,28,29)
InChIKeyDSDNTQLPQNTZTF-UHFFFAOYSA-N
XLogP3.50
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 139344887) is 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.
What is the InChIKey of 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is DSDNTQLPQNTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-11-2-3-12(18(28)29)9-26(11)16-6-7-23-17(25-16)14-8-24-15-5-4-13(10-27(14)15)19(20,21)22/h4-8,10-12H,2-3,9H2,1H3,(H,28,29).
What are the key properties of 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 405.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 139344887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).