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

C26H20Cl2FN5 — CID 58824313

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCc4ccc(Cl)cc4Cl)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H20Cl2FN5/c1-2-16-10-12-34-23(13-16)33-24(17-4-7-20(29)8-5-17)25(34)22-9-11-30-26(32-22)31-15-18-3-6-19(27)14-21(18)28/h3-14H,2,15H2,1H3,(H,30,31,32)
InChIKeyKDWMZGGYQBESCO-UHFFFAOYSA-N
MW492.39 g/mol
LogP7.08
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58824313) has the molecular formula C26H20Cl2FN5 and a molecular weight of 492.39 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58824313
Molecular FormulaC26H20Cl2FN5
Molecular Weight492.39 g/mol
Exact Mass491.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCc4ccc(Cl)cc4Cl)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H20Cl2FN5/c1-2-16-10-12-34-23(13-16)33-24(17-4-7-20(29)8-5-17)25(34)22-9-11-30-26(32-22)31-15-18-3-6-19(27)14-21(18)28/h3-14H,2,15H2,1H3,(H,30,31,32)
InChIKeyKDWMZGGYQBESCO-UHFFFAOYSA-N
XLogP7.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 58824313) is N-[(2,4-dichlorophenyl)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-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(NCc4ccc(Cl)cc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KDWMZGGYQBESCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2FN5/c1-2-16-10-12-34-23(13-16)33-24(17-4-7-20(29)8-5-17)25(34)22-9-11-30-26(32-22)31-15-18-3-6-19(27)14-21(18)28/h3-14H,2,15H2,1H3,(H,30,31,32).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 492.39 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58824313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).