methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate

C23H24ClN5O2 — CID 59133203

IUPACmethyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C23H24ClN5O2/c1-23(22(30)31-2)8-6-13(7-9-23)21-28-18(19-20(25)26-10-11-29(19)21)16-12-14-4-3-5-15(24)17(14)27-16/h3-5,10-13,27H,6-9H2,1-2H3,(H2,25,26)
InChIKeyQPDMCMFNBGSKJL-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.95
Rot. Bonds3

About methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate

methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate (PubChem CID 59133203) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate
PubChem CID59133203
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Namemethyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C23H24ClN5O2/c1-23(22(30)31-2)8-6-13(7-9-23)21-28-18(19-20(25)26-10-11-29(19)21)16-12-14-4-3-5-15(24)17(14)27-16/h3-5,10-13,27H,6-9H2,1-2H3,(H2,25,26)
InChIKeyQPDMCMFNBGSKJL-UHFFFAOYSA-N
XLogP4.95
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-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
US10954241, Example 9
CID 138522386
methyl (2S,4S,6S,12bR)-4-(3-chlorophenyl)-2-(3-imidazol-1-ylpropylamino)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate
CID 44716431
4-[6-(benzylamino)purin-9-yl]-4-(1H-indol-3-yl)butanoic acid
CID 91103745
2-[3-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 56602636
4-[8-amino-1-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 58111139
Methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133057
methyl 4-[8-amino-1-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133127
4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 59133146
4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 59133192
N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 59133230
4-[8-(methylamino)-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 70249509

Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate (CID 59133203) is methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate is COC(=O)C1(C)CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate?
The InChIKey is QPDMCMFNBGSKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-23(22(30)31-2)8-6-13(7-9-23)21-28-18(19-20(25)26-10-11-29(19)21)16-12-14-4-3-5-15(24)17(14)27-16/h3-5,10-13,27H,6-9H2,1-2H3,(H2,25,26).
What are the key properties of methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate?
methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate has a molecular weight of 437.93 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 59133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).