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

C22H24N6O2 — CID 59286100

IUPAC4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCOc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)[nH]c12
InChIInChI=1S/C22H24N6O2/c1-30-16-4-2-3-14-11-15(26-17(14)16)18-19-20(23)25-9-10-28(19)22(27-18)13-7-5-12(6-8-13)21(24)29/h2-4,9-13,26H,5-8H2,1H3,(H2,23,25)(H2,24,29)
InChIKeyRWWZDAQLXPVSNE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.23
Rot. Bonds4

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

4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 59286100) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID59286100
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCOc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)[nH]c12
InChIInChI=1S/C22H24N6O2/c1-30-16-4-2-3-14-11-15(26-17(14)16)18-19-20(23)25-9-10-28(19)22(27-18)13-7-5-12(6-8-13)21(24)29/h2-4,9-13,26H,5-8H2,1H3,(H2,23,25)(H2,24,29)
InChIKeyRWWZDAQLXPVSNE-UHFFFAOYSA-N
XLogP3.23
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59133144
5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 137032824
1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
CID 90798674
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-[2-(2-aminoethoxy)ethoxy]-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one
CID 147893863
4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 66738299
4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-sulfonamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 157162256
4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 157184668

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 59286100) is 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is COc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)[nH]c12.
What is the InChIKey of 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is RWWZDAQLXPVSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-30-16-4-2-3-14-11-15(26-17(14)16)18-19-20(23)25-9-10-28(19)22(27-18)13-7-5-12(6-8-13)21(24)29/h2-4,9-13,26H,5-8H2,1H3,(H2,23,25)(H2,24,29).
What are the key properties of 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59286100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).