8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde

C22H24FN7OS — CID 170747497

IUPAC8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde
SMILESCN1CC2CN(c3cnc4cc(C=O)sc4n3)C2C1.CNc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C13H14N4OS.C9H10FN3/c1-16-4-8-5-17(11(8)6-16)12-3-14-10-2-9(7-18)19-13(10)15-12;1-6-4-13-5-7(11-2)3-8(10)9(13)12-6/h2-3,7-8,11H,4-6H2,1H3;3-5,11H,1-2H3
InChIKeyWCTHBXRMFHEFGX-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.08
Rot. Bonds3

About 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde

8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde (PubChem CID 170747497) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde
PubChem CID170747497
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC Name8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde
SMILESCN1CC2CN(c3cnc4cc(C=O)sc4n3)C2C1.CNc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C13H14N4OS.C9H10FN3/c1-16-4-8-5-17(11(8)6-16)12-3-14-10-2-9(7-18)19-13(10)15-12;1-6-4-13-5-7(11-2)3-8(10)9(13)12-6/h2-3,7-8,11H,4-6H2,1H3;3-5,11H,1-2H3
InChIKeyWCTHBXRMFHEFGX-UHFFFAOYSA-N
XLogP3.08
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde with MolForge

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Related Compounds

3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde
CID 170747498
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 177202636
3-(3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde
CID 177202596
5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine
CID 167500269
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;hydrochloride
CID 156755756
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747778
5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507512
5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747701
(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine
CID 168976839
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[(2S)-piperidin-2-yl]azetidin-1-yl]pyrazine-2-carboxamide
CID 167528526
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 138958586
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde?
The IUPAC name of 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde (CID 170747497) is 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde.
What is the SMILES notation for 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde?
The canonical SMILES for 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde is CN1CC2CN(c3cnc4cc(C=O)sc4n3)C2C1.CNc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde?
The InChIKey is WCTHBXRMFHEFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS.C9H10FN3/c1-16-4-8-5-17(11(8)6-16)12-3-14-10-2-9(7-18)19-13(10)15-12;1-6-4-13-5-7(11-2)3-8(10)9(13)12-6/h2-3,7-8,11H,4-6H2,1H3;3-5,11H,1-2H3.
What are the key properties of 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde?
8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde has a molecular weight of 453.55 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine;3-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)thieno[2,3-b]pyrazine-6-carbaldehyde is sourced from PubChem (CID 170747497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).