3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

C22H22F3N5O4 — CID 164822088

IUPAC3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESO=C(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(O)CC3)cc2n1
InChIInChI=1S/C22H22F3N5O4/c23-22(24,25)18-3-1-2-15(27-18)21(34)28-16-12-30-11-13(4-5-20(32)33)26-19(30)10-17(16)29-8-6-14(31)7-9-29/h1-3,10-12,14,31H,4-9H2,(H,28,34)(H,32,33)
InChIKeyADPOSQUVRCEXHM-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.98
Rot. Bonds6

About 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 164822088) has the molecular formula C22H22F3N5O4 and a molecular weight of 477.44 g/mol. Its IUPAC name is 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID164822088
Molecular FormulaC22H22F3N5O4
Molecular Weight477.44 g/mol
Exact Mass477.16
IUPAC Name3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESO=C(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(O)CC3)cc2n1
InChIInChI=1S/C22H22F3N5O4/c23-22(24,25)18-3-1-2-15(27-18)21(34)28-16-12-30-11-13(4-5-20(32)33)26-19(30)10-17(16)29-8-6-14(31)7-9-29/h1-3,10-12,14,31H,4-9H2,(H,28,34)(H,32,33)
InChIKeyADPOSQUVRCEXHM-UHFFFAOYSA-N
XLogP2.98
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 164822088) is 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is O=C(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(O)CC3)cc2n1.
What is the InChIKey of 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is ADPOSQUVRCEXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4/c23-22(24,25)18-3-1-2-15(27-18)21(34)28-16-12-30-11-13(4-5-20(32)33)26-19(30)10-17(16)29-8-6-14(31)7-9-29/h1-3,10-12,14,31H,4-9H2,(H,28,34)(H,32,33).
What are the key properties of 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 477.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-hydroxypiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 164822088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).