4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine

C24H25FN6O — CID 68592579

IUPAC4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc(C)c(-c2cnc3c(F)cccn23)n1
InChIInChI=1S/C24H25FN6O/c1-15-13-28-24(30-22(15)20-14-27-23-18(25)4-3-11-31(20)23)29-19-6-5-17(12-21(19)32-2)16-7-9-26-10-8-16/h3-6,11-14,16,26H,7-10H2,1-2H3,(H,28,29,30)
InChIKeyRXQKEFIDCNDRME-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.46
Rot. Bonds5

About 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine

4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine (PubChem CID 68592579) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine
PubChem CID68592579
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc(C)c(-c2cnc3c(F)cccn23)n1
InChIInChI=1S/C24H25FN6O/c1-15-13-28-24(30-22(15)20-14-27-23-18(25)4-3-11-31(20)23)29-19-6-5-17(12-21(19)32-2)16-7-9-26-10-8-16/h3-6,11-14,16,26H,7-10H2,1-2H3,(H,28,29,30)
InChIKeyRXQKEFIDCNDRME-UHFFFAOYSA-N
XLogP4.46
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine (CID 68592579) is 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc(C)c(-c2cnc3c(F)cccn23)n1.
What is the InChIKey of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine?
The InChIKey is RXQKEFIDCNDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-15-13-28-24(30-22(15)20-14-27-23-18(25)4-3-11-31(20)23)29-19-6-5-17(12-21(19)32-2)16-7-9-26-10-8-16/h3-6,11-14,16,26H,7-10H2,1-2H3,(H,28,29,30).
What are the key properties of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine?
4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine has a molecular weight of 432.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 68592579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).