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'}

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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).