(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one

C26H23FN4O2 — CID 95811714

IUPAC(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
SMILESCc1ccn2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3cccc(-c4cccc(F)c4)c3)nc2c1
InChIInChI=1S/C26H23FN4O2/c1-17-8-10-30-16-22(29-24(30)12-17)26(33)31-11-9-28-25(32)23(31)14-18-4-2-5-19(13-18)20-6-3-7-21(27)15-20/h2-8,10,12-13,15-16,23H,9,11,14H2,1H3,(H,28,32)/t23-/m0/s1
InChIKeyLNFVALVDWLOMNH-QHCPKHFHSA-N
MW442.49 g/mol
LogP3.63
Rot. Bonds4

About (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one

(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one (PubChem CID 95811714) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
PubChem CID95811714
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
SMILESCc1ccn2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3cccc(-c4cccc(F)c4)c3)nc2c1
InChIInChI=1S/C26H23FN4O2/c1-17-8-10-30-16-22(29-24(30)12-17)26(33)31-11-9-28-25(32)23(31)14-18-4-2-5-19(13-18)20-6-3-7-21(27)15-20/h2-8,10,12-13,15-16,23H,9,11,14H2,1H3,(H,28,32)/t23-/m0/s1
InChIKeyLNFVALVDWLOMNH-QHCPKHFHSA-N
XLogP3.63
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1-benzofuran-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250472
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
4-[4-(2-methoxyethoxy)benzoyl]-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110250535
4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 110088305
4-(3,7-dimethyl-1-benzofuran-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110075902
4-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110075899
N-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172231
(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812013
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
2-(1-ethyl-3-oxopiperazin-2-yl)-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 131947273
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one (CID 95811714) is (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one is Cc1ccn2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3cccc(-c4cccc(F)c4)c3)nc2c1.
What is the InChIKey of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
The InChIKey is LNFVALVDWLOMNH-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-17-8-10-30-16-22(29-24(30)12-17)26(33)31-11-9-28-25(32)23(31)14-18-4-2-5-19(13-18)20-6-3-7-21(27)15-20/h2-8,10,12-13,15-16,23H,9,11,14H2,1H3,(H,28,32)/t23-/m0/s1.
What are the key properties of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one has a molecular weight of 442.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 95811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).