(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

About (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42317093) has the molecular formula C22H22ClN5O3S and a molecular weight of 471.97 g/mol. Its IUPAC name is (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID	42317093
Molecular Formula	C22H22ClN5O3S
Molecular Weight	471.97 g/mol
Exact Mass	471.11
IUPAC Name	(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILES	C[C@]1(C2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)NC(=O)N(Cc2ccsc2)C1=O
InChI	InChI=1S/C22H22ClN5O3S/c1-22(20(30)28(21(31)25-22)10-14-6-9-32-13-14)15-4-7-26(8-5-15)19(29)17-12-27-11-16(23)2-3-18(27)24-17/h2-3,6,9,11-13,15H,4-5,7-8,10H2,1H3,(H,25,31)/t22-/m1/s1
InChIKey	OVWVLYBTIZKNPU-JOCHJYFZSA-N
XLogP	3.41
TPSA	87.02 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.97
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 42317093) is (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is C[C@]1(C2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)NC(=O)N(Cc2ccsc2)C1=O.

What is the InChIKey of (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The InChIKey is OVWVLYBTIZKNPU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22ClN5O3S/c1-22(20(30)28(21(31)25-22)10-14-6-9-32-13-14)15-4-7-26(8-5-15)19(29)17-12-27-11-16(23)2-3-18(27)24-17/h2-3,6,9,11-13,15H,4-5,7-8,10H2,1H3,(H,25,31)/t22-/m1/s1.

What are the key properties of (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 471.97 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).