(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one

C20H19ClN4O2 — CID 97144874

IUPAC(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1C[C@H](C)N(C(=O)c2cn3cc(Cl)ccc3n2)CC1=O
InChIInChI=1S/C20H19ClN4O2/c1-13-5-3-4-6-17(13)25-9-14(2)24(12-19(25)26)20(27)16-11-23-10-15(21)7-8-18(23)22-16/h3-8,10-11,14H,9,12H2,1-2H3/t14-/m0/s1
InChIKeyCTBJWJUQLPYKMW-AWEZNQCLSA-N
MW382.85 g/mol
LogP3.17
Rot. Bonds2

About (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one

(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 97144874) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID97144874
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1C[C@H](C)N(C(=O)c2cn3cc(Cl)ccc3n2)CC1=O
InChIInChI=1S/C20H19ClN4O2/c1-13-5-3-4-6-17(13)25-9-14(2)24(12-19(25)26)20(27)16-11-23-10-15(21)7-8-18(23)22-16/h3-8,10-11,14H,9,12H2,1-2H3/t14-/m0/s1
InChIKeyCTBJWJUQLPYKMW-AWEZNQCLSA-N
XLogP3.17
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one (CID 97144874) is (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1C[C@H](C)N(C(=O)c2cn3cc(Cl)ccc3n2)CC1=O.
What is the InChIKey of (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is CTBJWJUQLPYKMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-5-3-4-6-17(13)25-9-14(2)24(12-19(25)26)20(27)16-11-23-10-15(21)7-8-18(23)22-16/h3-8,10-11,14H,9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 382.85 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 97144874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).