N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

C27H28N6OS — CID 59133190

IUPACN-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H28N6OS/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34)
InChIKeyZJSDMXAMAWQDOF-UHFFFAOYSA-N
MW484.63 g/mol
LogP5.60
Rot. Bonds5

About N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 59133190) has the molecular formula C27H28N6OS and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
PubChem CID59133190
Molecular FormulaC27H28N6OS
Molecular Weight484.63 g/mol
Exact Mass484.20
IUPAC NameN-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H28N6OS/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34)
InChIKeyZJSDMXAMAWQDOF-UHFFFAOYSA-N
XLogP5.60
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (CID 59133190) is N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The InChIKey is ZJSDMXAMAWQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34).
What are the key properties of N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 484.63 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 59133190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).