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

C23H26FN7O4 — CID 67258209

IUPAC3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOC(=O)C1CCCN1c1cc(NC2CCCN(C(=O)O)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C23H26FN7O4/c1-35-22(32)16-5-3-9-30(16)20-10-18(26-15-4-2-8-29(13-15)23(33)34)27-21(28-20)17-11-25-19-7-6-14(24)12-31(17)19/h6-7,10-12,15-16H,2-5,8-9,13H2,1H3,(H,33,34)(H,26,27,28)
InChIKeyZWRNLQDEAPFKKM-UHFFFAOYSA-N
MW483.50 g/mol
LogP2.63
Rot. Bonds5

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

3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 67258209) has the molecular formula C23H26FN7O4 and a molecular weight of 483.50 g/mol. Its IUPAC name is 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID67258209
Molecular FormulaC23H26FN7O4
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOC(=O)C1CCCN1c1cc(NC2CCCN(C(=O)O)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C23H26FN7O4/c1-35-22(32)16-5-3-9-30(16)20-10-18(26-15-4-2-8-29(13-15)23(33)34)27-21(28-20)17-11-25-19-7-6-14(24)12-31(17)19/h6-7,10-12,15-16H,2-5,8-9,13H2,1H3,(H,33,34)(H,26,27,28)
InChIKeyZWRNLQDEAPFKKM-UHFFFAOYSA-N
XLogP2.63
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (CID 67258209) is 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)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-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is COC(=O)C1CCCN1c1cc(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-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is ZWRNLQDEAPFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O4/c1-35-22(32)16-5-3-9-30(16)20-10-18(26-15-4-2-8-29(13-15)23(33)34)27-21(28-20)17-11-25-19-7-6-14(24)12-31(17)19/h6-7,10-12,15-16H,2-5,8-9,13H2,1H3,(H,33,34)(H,26,27,28).
What are the key properties of 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 483.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67258209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).