5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine

C23H23FN6O — CID 68593212

IUPAC5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23FN6O/c1-31-20-12-16(15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29)
InChIKeyGAYNEFAHIVDYIF-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.15
Rot. Bonds5

About 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine

5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 68593212) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
PubChem CID68593212
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23FN6O/c1-31-20-12-16(15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29)
InChIKeyGAYNEFAHIVDYIF-UHFFFAOYSA-N
XLogP4.15
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine (CID 68593212) is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is GAYNEFAHIVDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-31-20-12-16(15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29).
What are the key properties of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 68593212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).