1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride

C24H27ClN4O2 — CID 24889517

IUPAC1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride
SMILESCc1ccn(-c2cc(NCc3c(C)cccc3C)c3nc(C)c(CO)n3c2)c(=O)c1.Cl
InChIInChI=1S/C24H26N4O2.ClH/c1-15-8-9-27(23(30)10-15)19-11-21(24-26-18(4)22(14-29)28(24)13-19)25-12-20-16(2)6-5-7-17(20)3;/h5-11,13,25,29H,12,14H2,1-4H3;1H
InChIKeyBVMWUKXPGJIOFY-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.25
Rot. Bonds5

About 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride

1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride (PubChem CID 24889517) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride
PubChem CID24889517
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride
SMILESCc1ccn(-c2cc(NCc3c(C)cccc3C)c3nc(C)c(CO)n3c2)c(=O)c1.Cl
InChIInChI=1S/C24H26N4O2.ClH/c1-15-8-9-27(23(30)10-15)19-11-21(24-26-18(4)22(14-29)28(24)13-19)25-12-20-16(2)6-5-7-17(20)3;/h5-11,13,25,29H,12,14H2,1-4H3;1H
InChIKeyBVMWUKXPGJIOFY-UHFFFAOYSA-N
XLogP4.25
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride?
The IUPAC name of 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride (CID 24889517) is 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride is Cc1ccn(-c2cc(NCc3c(C)cccc3C)c3nc(C)c(CO)n3c2)c(=O)c1.Cl.
What is the InChIKey of 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride?
The InChIKey is BVMWUKXPGJIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.ClH/c1-15-8-9-27(23(30)10-15)19-11-21(24-26-18(4)22(14-29)28(24)13-19)25-12-20-16(2)6-5-7-17(20)3;/h5-11,13,25,29H,12,14H2,1-4H3;1H.
What are the key properties of 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride?
1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride has a molecular weight of 438.96 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 24889517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).