(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione

C20H19FN4O2 — CID 165428167

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2cccc(F)c2)CC(=O)N1Cc1cn2ccccc2n1
InChIInChI=1S/C20H19FN4O2/c1-14-20(27)24(10-15-5-4-6-16(21)9-15)13-19(26)25(14)12-17-11-23-8-3-2-7-18(23)22-17/h2-9,11,14H,10,12-13H2,1H3/t14-/m0/s1
InChIKeyPWOUVTZAVPCKGN-AWEZNQCLSA-N
MW366.40 g/mol
LogP2.23
Rot. Bonds4

About (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione

(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione (PubChem CID 165428167) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
PubChem CID165428167
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2cccc(F)c2)CC(=O)N1Cc1cn2ccccc2n1
InChIInChI=1S/C20H19FN4O2/c1-14-20(27)24(10-15-5-4-6-16(21)9-15)13-19(26)25(14)12-17-11-23-8-3-2-7-18(23)22-17/h2-9,11,14H,10,12-13H2,1H3/t14-/m0/s1
InChIKeyPWOUVTZAVPCKGN-AWEZNQCLSA-N
XLogP2.23
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-4-[(1-benzylimidazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424252
(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165424719
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
CID 165419607
(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165420341
6-fluoro-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 22198844
(3S)-1-benzyl-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpiperazine-2,5-dione
CID 165420938
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione (CID 165428167) is (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione is C[C@H]1C(=O)N(Cc2cccc(F)c2)CC(=O)N1Cc1cn2ccccc2n1.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione?
The InChIKey is PWOUVTZAVPCKGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14-20(27)24(10-15-5-4-6-16(21)9-15)13-19(26)25(14)12-17-11-23-8-3-2-7-18(23)22-17/h2-9,11,14H,10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione?
(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione has a molecular weight of 366.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165428167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).