7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine

C18H20ClFN4 — CID 143550630

IUPAC7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine
SMILESCCCN(C)c1cnc2cc(CN)c(-c3ccc(F)cc3Cl)cn12
InChIInChI=1S/C18H20ClFN4/c1-3-6-23(2)18-10-22-17-7-12(9-21)15(11-24(17)18)14-5-4-13(20)8-16(14)19/h4-5,7-8,10-11H,3,6,9,21H2,1-2H3
InChIKeyVLDPNUOFCDMVRZ-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.10
Rot. Bonds5

About 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine

7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine (PubChem CID 143550630) has the molecular formula C18H20ClFN4 and a molecular weight of 346.84 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine
PubChem CID143550630
Molecular FormulaC18H20ClFN4
Molecular Weight346.84 g/mol
Exact Mass346.14
IUPAC Name7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine
SMILESCCCN(C)c1cnc2cc(CN)c(-c3ccc(F)cc3Cl)cn12
InChIInChI=1S/C18H20ClFN4/c1-3-6-23(2)18-10-22-17-7-12(9-21)15(11-24(17)18)14-5-4-13(20)8-16(14)19/h4-5,7-8,10-11H,3,6,9,21H2,1-2H3
InChIKeyVLDPNUOFCDMVRZ-UHFFFAOYSA-N
XLogP4.10
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine (CID 143550630) is 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine is CCCN(C)c1cnc2cc(CN)c(-c3ccc(F)cc3Cl)cn12.
What is the InChIKey of 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is VLDPNUOFCDMVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4/c1-3-6-23(2)18-10-22-17-7-12(9-21)15(11-24(17)18)14-5-4-13(20)8-16(14)19/h4-5,7-8,10-11H,3,6,9,21H2,1-2H3.
What are the key properties of 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine?
7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 346.84 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-N-methyl-N-propylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 143550630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).