3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one

C22H26N4O2 — CID 95889415

IUPAC3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3cn4ccccc4n3)[C@@H](C)C2)cc1
InChIInChI=1S/C22H26N4O2/c1-17-15-24(19-7-9-20(28-2)10-8-19)13-14-26(17)22(27)11-6-18-16-25-12-4-3-5-21(25)23-18/h3-5,7-10,12,16-17H,6,11,13-15H2,1-2H3/t17-/m0/s1
InChIKeyHZYCRWLKGWTSSC-KRWDZBQOSA-N
MW378.48 g/mol
LogP3.01
Rot. Bonds5

About 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one

3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one (PubChem CID 95889415) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
PubChem CID95889415
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3cn4ccccc4n3)[C@@H](C)C2)cc1
InChIInChI=1S/C22H26N4O2/c1-17-15-24(19-7-9-20(28-2)10-8-19)13-14-26(17)22(27)11-6-18-16-25-12-4-3-5-21(25)23-18/h3-5,7-10,12,16-17H,6,11,13-15H2,1-2H3/t17-/m0/s1
InChIKeyHZYCRWLKGWTSSC-KRWDZBQOSA-N
XLogP3.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 95549415
1-[(3S,4S)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 133113552
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
CID 146126092
1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 70722103
3-imidazo[1,2-a]pyridin-2-yl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50959448
3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
CID 131944338
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one (CID 95889415) is 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one is COc1ccc(N2CCN(C(=O)CCc3cn4ccccc4n3)[C@@H](C)C2)cc1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one?
The InChIKey is HZYCRWLKGWTSSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-15-24(19-7-9-20(28-2)10-8-19)13-14-26(17)22(27)11-6-18-16-25-12-4-3-5-21(25)23-18/h3-5,7-10,12,16-17H,6,11,13-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one?
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one has a molecular weight of 378.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 95889415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).