4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine

C24H18FN5O — CID 142578098

IUPAC4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
SMILESNc1cc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3)nc3ncccn23)ccn1
InChIInChI=1S/C24H18FN5O/c25-19-6-2-16(3-7-19)15-31-20-8-4-17(5-9-20)22-23(18-10-12-27-21(26)14-18)30-13-1-11-28-24(30)29-22/h1-14H,15H2,(H2,26,27)
InChIKeyRNVHGFOBLWKXGO-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.76
Rot. Bonds5

About 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine

4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine (PubChem CID 142578098) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
PubChem CID142578098
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
SMILESNc1cc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3)nc3ncccn23)ccn1
InChIInChI=1S/C24H18FN5O/c25-19-6-2-16(3-7-19)15-31-20-8-4-17(5-9-20)22-23(18-10-12-27-21(26)14-18)30-13-1-11-28-24(30)29-22/h1-14H,15H2,(H2,26,27)
InChIKeyRNVHGFOBLWKXGO-UHFFFAOYSA-N
XLogP4.76
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine (CID 142578098) is 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine is Nc1cc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3)nc3ncccn23)ccn1.
What is the InChIKey of 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine?
The InChIKey is RNVHGFOBLWKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c25-19-6-2-16(3-7-19)15-31-20-8-4-17(5-9-20)22-23(18-10-12-27-21(26)14-18)30-13-1-11-28-24(30)29-22/h1-14H,15H2,(H2,26,27).
What are the key properties of 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine?
4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine has a molecular weight of 411.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 142578098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).