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

C23H22FN5O2 — CID 59291201

IUPAC5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(C2CCOCC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H22FN5O2/c1-30-20-12-16(15-7-10-31-11-8-15)5-6-18(20)27-23-26-13-17(24)22(28-23)19-14-25-21-4-2-3-9-29(19)21/h2-6,9,12-15H,7-8,10-11H2,1H3,(H,26,27,28)
InChIKeySKWNJTJLVFQVRR-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.58
Rot. Bonds5

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

5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine (PubChem CID 59291201) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine
PubChem CID59291201
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(C2CCOCC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H22FN5O2/c1-30-20-12-16(15-7-10-31-11-8-15)5-6-18(20)27-23-26-13-17(24)22(28-23)19-14-25-21-4-2-3-9-29(19)21/h2-6,9,12-15H,7-8,10-11H2,1H3,(H,26,27,28)
InChIKeySKWNJTJLVFQVRR-UHFFFAOYSA-N
XLogP4.58
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 155309155
CID 155309155
CID 121231410
CID 121231410
CID 73387064
CID 73387064
CID 135335939
CID 135335939
CID 5329413
CID 5329413
CID 5329418
CID 5329418
CID 18536630
CID 18536630
CID 72716071
CID 72716071
CID 73386878
CID 73386878
CID 135335801
CID 135335801
CID 135336092
CID 135336092
CID 135336101
CID 135336101

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine (CID 59291201) is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine is COc1cc(C2CCOCC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine?
The InChIKey is SKWNJTJLVFQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-30-20-12-16(15-7-10-31-11-8-15)5-6-18(20)27-23-26-13-17(24)22(28-23)19-14-25-21-4-2-3-9-29(19)21/h2-6,9,12-15H,7-8,10-11H2,1H3,(H,26,27,28).
What are the key properties of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine?
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine has a molecular weight of 419.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 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-(oxan-4-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 59291201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).