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

C23H28FN7O3 — CID 67255773

IUPAC3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2cc(OCCN3CCCC3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C23H28FN7O3/c24-16-5-6-20-25-13-18(31(20)14-16)22-27-19(26-17-4-3-9-30(15-17)23(32)33)12-21(28-22)34-11-10-29-7-1-2-8-29/h5-6,12-14,17H,1-4,7-11,15H2,(H,32,33)(H,26,27,28)
InChIKeyWBGZCINSQTTZAT-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.96
Rot. Bonds7

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

3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 67255773) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID67255773
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC Name3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2cc(OCCN3CCCC3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C23H28FN7O3/c24-16-5-6-20-25-13-18(31(20)14-16)22-27-19(26-17-4-3-9-30(15-17)23(32)33)12-21(28-22)34-11-10-29-7-1-2-8-29/h5-6,12-14,17H,1-4,7-11,15H2,(H,32,33)(H,26,27,28)
InChIKeyWBGZCINSQTTZAT-UHFFFAOYSA-N
XLogP2.96
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (CID 67255773) is 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCCC(Nc2cc(OCCN3CCCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is WBGZCINSQTTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O3/c24-16-5-6-20-25-13-18(31(20)14-16)22-27-19(26-17-4-3-9-30(15-17)23(32)33)12-21(28-22)34-11-10-29-7-1-2-8-29/h5-6,12-14,17H,1-4,7-11,15H2,(H,32,33)(H,26,27,28).
What are the key properties of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 469.52 g/mol, XLogP of 2.96, 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-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67255773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).