5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

C18H21FN8O — CID 166507510

IUPAC5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4C[C@@H](C)N[C@@H](C)C4)cn3)nc(F)c2n1
InChIInChI=1S/C18H21FN8O/c1-10-6-26(7-11(2)22-10)15-5-20-13(4-21-15)18(28)25-14-9-27-8-12(3)23-17(27)16(19)24-14/h4-5,8-11,22H,6-7H2,1-3H3,(H,25,28)/t10-,11+
InChIKeyLBRCAIMJOJEVNF-PHIMTYICSA-N
MW384.42 g/mol
LogP1.41
Rot. Bonds3

About 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507510) has the molecular formula C18H21FN8O and a molecular weight of 384.42 g/mol. Its IUPAC name is 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507510
Molecular FormulaC18H21FN8O
Molecular Weight384.42 g/mol
Exact Mass384.18
IUPAC Name5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4C[C@@H](C)N[C@@H](C)C4)cn3)nc(F)c2n1
InChIInChI=1S/C18H21FN8O/c1-10-6-26(7-11(2)22-10)15-5-20-13(4-21-15)18(28)25-14-9-27-8-12(3)23-17(27)16(19)24-14/h4-5,8-11,22H,6-7H2,1-3H3,(H,25,28)/t10-,11+
InChIKeyLBRCAIMJOJEVNF-PHIMTYICSA-N
XLogP1.41
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-tert-butyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 44415532
Imidazo[1,2-a]pyrazin-2-yl-(4-methylpiperazin-1-yl)methanone
CID 57397738
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 97392163
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 97467328
N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 163518335
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 166507910
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507966
5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 90192094
N-propylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53014543
N-propan-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53014546
N-cyclohexylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53014549
5-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 172448798

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507510) is 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](C)N[C@@H](C)C4)cn3)nc(F)c2n1.
What is the InChIKey of 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is LBRCAIMJOJEVNF-PHIMTYICSA-N. The full InChI is InChI=1S/C18H21FN8O/c1-10-6-26(7-11(2)22-10)15-5-20-13(4-21-15)18(28)25-14-9-27-8-12(3)23-17(27)16(19)24-14/h4-5,8-11,22H,6-7H2,1-3H3,(H,25,28)/t10-,11+.
What are the key properties of 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).