N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C28H26FN5O2 — CID 58824686

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCc4ccc(OC)cc4OC)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H26FN5O2/c1-4-18-12-14-34-25(15-18)33-26(19-5-8-21(29)9-6-19)27(34)23-11-13-30-28(32-23)31-17-20-7-10-22(35-2)16-24(20)36-3/h5-16H,4,17H2,1-3H3,(H,30,31,32)
InChIKeySDFFCWASYKRNRH-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.79
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58824686) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58824686
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCc4ccc(OC)cc4OC)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H26FN5O2/c1-4-18-12-14-34-25(15-18)33-26(19-5-8-21(29)9-6-19)27(34)23-11-13-30-28(32-23)31-17-20-7-10-22(35-2)16-24(20)36-3/h5-16H,4,17H2,1-3H3,(H,30,31,32)
InChIKeySDFFCWASYKRNRH-UHFFFAOYSA-N
XLogP5.79
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 58824686) is N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(NCc4ccc(OC)cc4OC)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is SDFFCWASYKRNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-4-18-12-14-34-25(15-18)33-26(19-5-8-21(29)9-6-19)27(34)23-11-13-30-28(32-23)31-17-20-7-10-22(35-2)16-24(20)36-3/h5-16H,4,17H2,1-3H3,(H,30,31,32).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 483.55 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58824686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).