3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C26H26N6S — CID 66676601

IUPAC3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C26H26N6S/c1-31(2)15-16-12-19(13-16)26-30-23(24-25(27)28-9-10-32(24)26)18-6-5-17-7-8-20(29-21(17)14-18)22-4-3-11-33-22/h3-11,14,16,19H,12-13,15H2,1-2H3,(H2,27,28)
InChIKeyPTOFUBGVEVTDOA-UHFFFAOYSA-N
MW454.60 g/mol
LogP5.31
Rot. Bonds5

About 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 66676601) has the molecular formula C26H26N6S and a molecular weight of 454.60 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID66676601
Molecular FormulaC26H26N6S
Molecular Weight454.60 g/mol
Exact Mass454.19
IUPAC Name3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C26H26N6S/c1-31(2)15-16-12-19(13-16)26-30-23(24-25(27)28-9-10-32(24)26)18-6-5-17-7-8-20(29-21(17)14-18)22-4-3-11-33-22/h3-11,14,16,19H,12-13,15H2,1-2H3,(H2,27,28)
InChIKeyPTOFUBGVEVTDOA-UHFFFAOYSA-N
XLogP5.31
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Osi-906
CID 11640390
7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
7-(5,6-Dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 52918390
7-(5,6-Dimethyl-2-thiophen-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607902
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
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CID 2813457
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 66676601) is 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CN(C)CC1CC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is PTOFUBGVEVTDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6S/c1-31(2)15-16-12-19(13-16)26-30-23(24-25(27)28-9-10-32(24)26)18-6-5-17-7-8-20(29-21(17)14-18)22-4-3-11-33-22/h3-11,14,16,19H,12-13,15H2,1-2H3,(H2,27,28).
What are the key properties of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 454.60 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 66676601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).