1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine

C23H25ClN6 — CID 90798674

IUPAC1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
SMILESC/C=N/CC1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C23H25ClN6/c1-2-26-13-14-6-8-15(9-7-14)23-29-20(21-22(25)27-10-11-30(21)23)18-12-16-4-3-5-17(24)19(16)28-18/h2-5,10-12,14-15,28H,6-9,13H2,1H3,(H2,25,27)/b26-2+
InChIKeyJXTDGTOLCVSULL-CKIAUBSUSA-N
MW420.95 g/mol
LogP5.48
Rot. Bonds4

About 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine

1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 90798674) has the molecular formula C23H25ClN6 and a molecular weight of 420.95 g/mol. Its IUPAC name is 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID90798674
Molecular FormulaC23H25ClN6
Molecular Weight420.95 g/mol
Exact Mass420.18
IUPAC Name1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
SMILESC/C=N/CC1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C23H25ClN6/c1-2-26-13-14-6-8-15(9-7-14)23-29-20(21-22(25)27-10-11-30(21)23)18-12-16-4-3-5-17(24)19(16)28-18/h2-5,10-12,14-15,28H,6-9,13H2,1H3,(H2,25,27)/b26-2+
InChIKeyJXTDGTOLCVSULL-CKIAUBSUSA-N
XLogP5.48
TPSA84.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.95
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide
CID 143744472
4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59286100
methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133016
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 16678248
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-methylsulfonylethanone
CID 58423415
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl-benzylcarbamic acid
CID 66737965
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 143469271
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 16679556
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 159779813
3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine
CID 143469204
1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 143469524

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (CID 90798674) is 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is C/C=N/CC1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is JXTDGTOLCVSULL-CKIAUBSUSA-N. The full InChI is InChI=1S/C23H25ClN6/c1-2-26-13-14-6-8-15(9-7-14)23-29-20(21-22(25)27-10-11-30(21)23)18-12-16-4-3-5-17(24)19(16)28-18/h2-5,10-12,14-15,28H,6-9,13H2,1H3,(H2,25,27)/b26-2+.
What are the key properties of 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 420.95 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 90798674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).