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

C22H23N5OS — CID 59133144

IUPAC4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)sc12
InChIInChI=1S/C22H23N5OS/c1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)25-9-10-27(18)22(26-17)14-7-5-13(6-8-14)21(24)28/h2-4,9-11,13-14H,5-8H2,1H3,(H2,23,25)(H2,24,28)
InChIKeyOILVFHTZHVXLTC-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.26
Rot. Bonds3

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

4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 59133144) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID59133144
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)sc12
InChIInChI=1S/C22H23N5OS/c1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)25-9-10-27(18)22(26-17)14-7-5-13(6-8-14)21(24)28/h2-4,9-11,13-14H,5-8H2,1H3,(H2,23,25)(H2,24,28)
InChIKeyOILVFHTZHVXLTC-UHFFFAOYSA-N
XLogP4.26
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 59133144) is 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is Cc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)sc12.
What is the InChIKey of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is OILVFHTZHVXLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)25-9-10-27(18)22(26-17)14-7-5-13(6-8-14)21(24)28/h2-4,9-11,13-14H,5-8H2,1H3,(H2,23,25)(H2,24,28).
What are the key properties of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59133144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).