1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one

C28H30N4O — CID 124979360

IUPAC1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one
SMILESCC(C(=O)N1CCC[C@H](Cc2cn3ccnc3cn2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N4O/c1-28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)27(33)31-16-8-9-22(14-17-31)19-25-21-32-18-15-29-26(32)20-30-25/h2-7,10-13,15,18,20-22H,8-9,14,16-17,19H2,1H3/t22-/m0/s1
InChIKeyMATIWTBPDNICSY-QFIPXVFZSA-N
MW438.58 g/mol
LogP4.91
Rot. Bonds5

About 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one

1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one (PubChem CID 124979360) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one
PubChem CID124979360
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one
SMILESCC(C(=O)N1CCC[C@H](Cc2cn3ccnc3cn2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N4O/c1-28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)27(33)31-16-8-9-22(14-17-31)19-25-21-32-18-15-29-26(32)20-30-25/h2-7,10-13,15,18,20-22H,8-9,14,16-17,19H2,1H3/t22-/m0/s1
InChIKeyMATIWTBPDNICSY-QFIPXVFZSA-N
XLogP4.91
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 155984435
1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 155985623
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110111511
tert-butyl 3-(imidazo[1,2-a]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 142415431
(4-benzyl-1-methylpiperidin-4-yl)-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124967659
1-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-(oxan-4-yl)ethanone
CID 125016766
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124968323
[1-(2-fluorophenyl)cyclopentyl]-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124960652
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyridazin-4-ylmethanone
CID 125023457
1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 124971721
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 125025016
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one?
The IUPAC name of 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one (CID 124979360) is 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one.
What is the SMILES notation for 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one?
The canonical SMILES for 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one is CC(C(=O)N1CCC[C@H](Cc2cn3ccnc3cn2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one?
The InChIKey is MATIWTBPDNICSY-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30N4O/c1-28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)27(33)31-16-8-9-22(14-17-31)19-25-21-32-18-15-29-26(32)20-30-25/h2-7,10-13,15,18,20-22H,8-9,14,16-17,19H2,1H3/t22-/m0/s1.
What are the key properties of 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one?
1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one has a molecular weight of 438.58 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one is sourced from PubChem (CID 124979360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).