1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one

C25H28N4O2 — CID 5329353

IUPAC1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one
SMILESCOCCN(C)CCCn1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1=O
InChIInChI=1S/C25H28N4O2/c1-27(15-16-31-2)11-6-12-28-13-9-22(18-25(28)30)21-10-14-29-23(19-26-24(29)17-21)20-7-4-3-5-8-20/h3-5,7-10,13-14,17-19H,6,11-12,15-16H2,1-2H3
InChIKeySRABJUKJOIVQMS-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.80
Rot. Bonds9

About 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one

1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one (PubChem CID 5329353) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one
PubChem CID5329353
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one
SMILESCOCCN(C)CCCn1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1=O
InChIInChI=1S/C25H28N4O2/c1-27(15-16-31-2)11-6-12-28-13-9-22(18-25(28)30)21-10-14-29-23(19-26-24(29)17-21)20-7-4-3-5-8-20/h3-5,7-10,13-14,17-19H,6,11-12,15-16H2,1-2H3
InChIKeySRABJUKJOIVQMS-UHFFFAOYSA-N
XLogP3.80
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
The IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one (CID 5329353) is 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one.
What is the SMILES notation for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
The canonical SMILES for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one is COCCN(C)CCCn1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1=O.
What is the InChIKey of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
The InChIKey is SRABJUKJOIVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-27(15-16-31-2)11-6-12-28-13-9-22(18-25(28)30)21-10-14-29-23(19-26-24(29)17-21)20-7-4-3-5-8-20/h3-5,7-10,13-14,17-19H,6,11-12,15-16H2,1-2H3.
What are the key properties of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one has a molecular weight of 416.53 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one is sourced from PubChem (CID 5329353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).