4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid

C17H16BrFN6O2 — CID 135289692

IUPAC4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncc(F)c(-c3cnc4ccc(Br)cn34)n2)CC1
InChIInChI=1S/C17H16BrFN6O2/c18-10-1-2-14-20-8-13(25(14)9-10)15-12(19)7-21-16(23-15)22-11-3-5-24(6-4-11)17(26)27/h1-2,7-9,11H,3-6H2,(H,26,27)(H,21,22,23)
InChIKeyODSUDRXTHUYERG-UHFFFAOYSA-N
MW435.26 g/mol
LogP3.25
Rot. Bonds3

About 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid

4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 135289692) has the molecular formula C17H16BrFN6O2 and a molecular weight of 435.26 g/mol. Its IUPAC name is 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID135289692
Molecular FormulaC17H16BrFN6O2
Molecular Weight435.26 g/mol
Exact Mass434.05
IUPAC Name4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncc(F)c(-c3cnc4ccc(Br)cn34)n2)CC1
InChIInChI=1S/C17H16BrFN6O2/c18-10-1-2-14-20-8-13(25(14)9-10)15-12(19)7-21-16(23-15)22-11-3-5-24(6-4-11)17(26)27/h1-2,7-9,11H,3-6H2,(H,26,27)(H,21,22,23)
InChIKeyODSUDRXTHUYERG-UHFFFAOYSA-N
XLogP3.25
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid (CID 135289692) is 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ncc(F)c(-c3cnc4ccc(Br)cn34)n2)CC1.
What is the InChIKey of 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is ODSUDRXTHUYERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN6O2/c18-10-1-2-14-20-8-13(25(14)9-10)15-12(19)7-21-16(23-15)22-11-3-5-24(6-4-11)17(26)27/h1-2,7-9,11H,3-6H2,(H,26,27)(H,21,22,23).
What are the key properties of 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 435.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 135289692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).