1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone

C20H17N5O — CID 126473351

IUPAC1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1
InChIInChI=1S/C20H17N5O/c1-14(26)16-5-2-6-17(10-16)18-13-24-20-19(22-8-9-25(18)20)23-12-15-4-3-7-21-11-15/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyAWURORLGADPGEV-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone

1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone (PubChem CID 126473351) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
PubChem CID126473351
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1
InChIInChI=1S/C20H17N5O/c1-14(26)16-5-2-6-17(10-16)18-13-24-20-19(22-8-9-25(18)20)23-12-15-4-3-7-21-11-15/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyAWURORLGADPGEV-UHFFFAOYSA-N
XLogP3.61
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678
1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126474461
3-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 58873894
1-[3-[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]phenyl]ethanone
CID 117084022
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 126472649
N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475682
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone (CID 126473351) is 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.
What is the InChIKey of 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The InChIKey is AWURORLGADPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14(26)16-5-2-6-17(10-16)18-13-24-20-19(22-8-9-25(18)20)23-12-15-4-3-7-21-11-15/h2-11,13H,12H2,1H3,(H,22,23).
What are the key properties of 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 126473351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).