N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide

C16H19ClN4O — CID 86774926

IUPACN-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide
SMILESO=C(CCN1CCn2ccnc2C1)NCc1ccccc1Cl
InChIInChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)11-19-16(22)5-7-20-9-10-21-8-6-18-15(21)12-20/h1-4,6,8H,5,7,9-12H2,(H,19,22)
InChIKeyRDJWARGUPZBAJX-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.06
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide

N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide (PubChem CID 86774926) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide
PubChem CID86774926
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide
SMILESO=C(CCN1CCn2ccnc2C1)NCc1ccccc1Cl
InChIInChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)11-19-16(22)5-7-20-9-10-21-8-6-18-15(21)12-20/h1-4,6,8H,5,7,9-12H2,(H,19,22)
InChIKeyRDJWARGUPZBAJX-UHFFFAOYSA-N
XLogP2.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417
N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
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N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
1-(3,4-dichlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025214
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
4-amino-N-[(2-chlorophenyl)methyl]butanamide
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3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide (CID 86774926) is N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide is O=C(CCN1CCn2ccnc2C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide?
The InChIKey is RDJWARGUPZBAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)11-19-16(22)5-7-20-9-10-21-8-6-18-15(21)12-20/h1-4,6,8H,5,7,9-12H2,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide has a molecular weight of 318.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide is sourced from PubChem (CID 86774926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).