(3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride

C23H22Cl2N2O3S — CID 162214206

About (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride

(3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride (PubChem CID 162214206) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride.

Molecular Properties

• Compound Name: (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride
• PubChem CID: 162214206
• Molecular Formula: C23H22Cl2N2O3S
• Molecular Weight: 477.41 g/mol
• Exact Mass: 476.07
• IUPAC Name: (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride
• SMILES: Cc1nc2c(OCc3sccc3Cl)cccn2c1C(=O)C[C@@H](CO)c1ccccc1.Cl
• InChI: InChI=1S/C23H21ClN2O3S.ClH/c1-15-22(19(28)12-17(13-27)16-6-3-2-4-7-16)26-10-5-8-20(23(26)25-15)29-14-21-18(24)9-11-30-21;/h2-11,17,27H,12-14H2,1H3;1H/t17-;/m0./s1
• InChIKey: JMBCFZXRVKHAJH-LMOVPXPDSA-N
• XLogP: 5.71
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.41
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride?

The IUPAC name of (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride (CID 162214206) is (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride.

What is the SMILES notation for (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride?

The canonical SMILES for (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride is Cc1nc2c(OCc3sccc3Cl)cccn2c1C(=O)C[C@@H](CO)c1ccccc1.Cl.

What is the InChIKey of (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride?

The InChIKey is JMBCFZXRVKHAJH-LMOVPXPDSA-N. The full InChI is InChI=1S/C23H21ClN2O3S.ClH/c1-15-22(19(28)12-17(13-27)16-6-3-2-4-7-16)26-10-5-8-20(23(26)25-15)29-14-21-18(24)9-11-30-21;/h2-11,17,27H,12-14H2,1H3;1H/t17-;/m0./s1.

What are the key properties of (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride?

(3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride has a molecular weight of 477.41 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 162214206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).