(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal

C24H21F2N7O — CID 170269973

IUPAC(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal
SMILESCN(C)/C=C(\C=C/C=O)c1cnc(CNc2nccn3c(-c4cc(F)cc(F)c4)cnc23)cn1
InChIInChI=1S/C24H21F2N7O/c1-32(2)15-16(4-3-7-34)21-13-28-20(11-29-21)12-30-23-24-31-14-22(33(24)6-5-27-23)17-8-18(25)10-19(26)9-17/h3-11,13-15H,12H2,1-2H3,(H,27,30)/b4-3-,16-15+
InChIKeyDYKIOBHOFMZRRQ-MLOLRHNGSA-N
MW461.48 g/mol
LogP3.73
Rot. Bonds8

About (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal

(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal (PubChem CID 170269973) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal
PubChem CID170269973
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal
SMILESCN(C)/C=C(\C=C/C=O)c1cnc(CNc2nccn3c(-c4cc(F)cc(F)c4)cnc23)cn1
InChIInChI=1S/C24H21F2N7O/c1-32(2)15-16(4-3-7-34)21-13-28-20(11-29-21)12-30-23-24-31-14-22(33(24)6-5-27-23)17-8-18(25)10-19(26)9-17/h3-11,13-15H,12H2,1-2H3,(H,27,30)/b4-3-,16-15+
InChIKeyDYKIOBHOFMZRRQ-MLOLRHNGSA-N
XLogP3.73
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal with MolForge

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Related Compounds

5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol
CID 155478922
3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678
4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
CID 143766220
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
N-[(4-fluorophenyl)methyl]-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126475158
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
8-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazine-3,8-diamine
CID 71196573
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 126472649
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 126474871

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal?
The IUPAC name of (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal (CID 170269973) is (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal.
What is the SMILES notation for (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal?
The canonical SMILES for (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal is CN(C)/C=C(\C=C/C=O)c1cnc(CNc2nccn3c(-c4cc(F)cc(F)c4)cnc23)cn1.
What is the InChIKey of (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal?
The InChIKey is DYKIOBHOFMZRRQ-MLOLRHNGSA-N. The full InChI is InChI=1S/C24H21F2N7O/c1-32(2)15-16(4-3-7-34)21-13-28-20(11-29-21)12-30-23-24-31-14-22(33(24)6-5-27-23)17-8-18(25)10-19(26)9-17/h3-11,13-15H,12H2,1-2H3,(H,27,30)/b4-3-,16-15+.
What are the key properties of (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal?
(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal has a molecular weight of 461.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal is sourced from PubChem (CID 170269973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).