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

C22H22ClN5O2 — CID 59133108

IUPACmethyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C22H22ClN5O2/c1-30-22(29)13-7-5-12(6-8-13)21-27-18(19-20(24)25-9-10-28(19)21)16-11-14-3-2-4-15(23)17(14)26-16/h2-4,9-13,26H,5-8H2,1H3,(H2,24,25)
InChIKeyQCFWYNDFIXKMKR-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.56
Rot. Bonds3

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

methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (PubChem CID 59133108) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
PubChem CID59133108
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Namemethyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C22H22ClN5O2/c1-30-22(29)13-7-5-12(6-8-13)21-27-18(19-20(24)25-9-10-28(19)21)16-11-14-3-2-4-15(23)17(14)26-16/h2-4,9-13,26H,5-8H2,1H3,(H2,24,25)
InChIKeyQCFWYNDFIXKMKR-UHFFFAOYSA-N
XLogP4.56
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 24862840
6-chloro-2-(1H-indol-3-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 4276003
US10954241, Example 9
CID 138522386
methyl (2S,4S,6S,12bR)-4-(3-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylamino]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate
CID 28991350
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
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide
CID 16679554
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

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]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (CID 59133108) is methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-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]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(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]cyclohexane-1-carboxylate?
The InChIKey is QCFWYNDFIXKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-30-22(29)13-7-5-12(6-8-13)21-27-18(19-20(24)25-9-10-28(19)21)16-11-14-3-2-4-15(23)17(14)26-16/h2-4,9-13,26H,5-8H2,1H3,(H2,24,25).
What are the key properties of methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate has a molecular weight of 423.90 g/mol, XLogP of 4.56, 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]cyclohexane-1-carboxylate is sourced from PubChem (CID 59133108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).