methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

C23H24FN5O2 — CID 59133057

IUPACmethyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C23H24FN5O2/c1-28-11-9-13-7-8-16(17(24)19(13)28)18-20-21(25)26-10-12-29(20)22(27-18)14-3-5-15(6-4-14)23(30)31-2/h7-12,14-15H,3-6H2,1-2H3,(H2,25,26)
InChIKeyMOHMPBOWXFXBOO-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.06
Rot. Bonds3

About methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (PubChem CID 59133057) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
PubChem CID59133057
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Namemethyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C23H24FN5O2/c1-28-11-9-13-7-8-16(17(24)19(13)28)18-20-21(25)26-10-12-29(20)22(27-18)14-3-5-15(6-4-14)23(30)31-2/h7-12,14-15H,3-6H2,1-2H3,(H2,25,26)
InChIKeyMOHMPBOWXFXBOO-UHFFFAOYSA-N
XLogP4.06
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 45276387
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-(2-fluorophenyl)propanoic acid
CID 10550633
6-(4-Fluoro-phenyl)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-piperidine-1-carbonyl]-indole-1-carboxylic acid dimethylamide
CID 10554403
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 24862840
trans-4-(8-Amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)cyclohexanecarboxamide
CID 53316637
[4-[8-Amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 53319268
trans-4-(8-Amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)cyclohexanecarboxylic acid
CID 53320577
trans-4-(8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-N-(2-aminophenyl)cyclohexanecarboxamide
CID 53321874
trans-4-(8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-N-methylcyclohexanecarboxamide
CID 53323210
trans-4-(8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-N-(pyridin-2-yl)cyclohexanecarboxamide
CID 53323212
trans-4-(8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-N-(1-methyl-1H-benzo[d]imidazol-2-yl)cyclohexanecarboxamide
CID 53324564
trans-4-(8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclohexanecarboxamide
CID 53326809

Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (CID 59133057) is methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3F)c3c(N)nccn23)CC1.
What is the InChIKey of methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The InChIKey is MOHMPBOWXFXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-28-11-9-13-7-8-16(17(24)19(13)28)18-20-21(25)26-10-12-29(20)22(27-18)14-3-5-15(6-4-14)23(30)31-2/h7-12,14-15H,3-6H2,1-2H3,(H2,25,26).
What are the key properties of methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 59133057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).