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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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).