3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

C20H23FN6O4 — CID 67255887

IUPAC3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOCCOc1cc(NC2CCCN(C(=O)O)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C20H23FN6O4/c1-30-7-8-31-18-9-16(23-14-3-2-6-26(12-14)20(28)29)24-19(25-18)15-10-22-17-5-4-13(21)11-27(15)17/h4-5,9-11,14H,2-3,6-8,12H2,1H3,(H,28,29)(H,23,24,25)
InChIKeyIWCXVQSTWWMJMB-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.51
Rot. Bonds7

About 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 67255887) has the molecular formula C20H23FN6O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID67255887
Molecular FormulaC20H23FN6O4
Molecular Weight430.44 g/mol
Exact Mass430.18
IUPAC Name3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOCCOc1cc(NC2CCCN(C(=O)O)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C20H23FN6O4/c1-30-7-8-31-18-9-16(23-14-3-2-6-26(12-14)20(28)29)24-19(25-18)15-10-22-17-5-4-13(21)11-27(15)17/h4-5,9-11,14H,2-3,6-8,12H2,1H3,(H,28,29)(H,23,24,25)
InChIKeyIWCXVQSTWWMJMB-UHFFFAOYSA-N
XLogP2.51
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (CID 67255887) is 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is COCCOc1cc(NC2CCCN(C(=O)O)C2)nc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is IWCXVQSTWWMJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O4/c1-30-7-8-31-18-9-16(23-14-3-2-6-26(12-14)20(28)29)24-19(25-18)15-10-22-17-5-4-13(21)11-27(15)17/h4-5,9-11,14H,2-3,6-8,12H2,1H3,(H,28,29)(H,23,24,25).
What are the key properties of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 430.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67255887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).