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

C27H24FN5O — CID 58824620

IUPAC4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCc4cccc(OC)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24FN5O/c1-3-18-12-14-33-24(16-18)32-25(20-7-9-21(28)10-8-20)26(33)23-11-13-29-27(31-23)30-17-19-5-4-6-22(15-19)34-2/h4-16H,3,17H2,1-2H3,(H,29,30,31)
InChIKeyFGMMVAPZODRVIR-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.78
Rot. Bonds7

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

4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 58824620) has the molecular formula C27H24FN5O and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID58824620
Molecular FormulaC27H24FN5O
Molecular Weight453.52 g/mol
Exact Mass453.20
IUPAC Name4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCc4cccc(OC)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24FN5O/c1-3-18-12-14-33-24(16-18)32-25(20-7-9-21(28)10-8-20)26(33)23-11-13-29-27(31-23)30-17-19-5-4-6-22(15-19)34-2/h4-16H,3,17H2,1-2H3,(H,29,30,31)
InChIKeyFGMMVAPZODRVIR-UHFFFAOYSA-N
XLogP5.78
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine (CID 58824620) is 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(NCc4cccc(OC)c4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is FGMMVAPZODRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O/c1-3-18-12-14-33-24(16-18)32-25(20-7-9-21(28)10-8-20)26(33)23-11-13-29-27(31-23)30-17-19-5-4-6-22(15-19)34-2/h4-16H,3,17H2,1-2H3,(H,29,30,31).
What are the key properties of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 453.52 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 58824620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).