bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C101H84N22O4S — CID 157199215

IUPACbis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12
InChIInChI=1S/2C26H22N6O.C26H21N5O2.C23H19N5S/c2*27-24-23-22(31-26(32(23)11-10-29-24)19-12-18(13-19)25(28)33)17-7-6-16-8-9-20(30-21(16)14-17)15-4-2-1-3-5-15;27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15;24-22-21-20(27-23(15-3-1-4-15)28(21)11-10-25-22)16-7-6-14-8-9-17(26-18(14)13-16)19-5-2-12-29-19/h2*1-11,14,18-19H,12-13H2,(H2,27,29)(H2,28,33);1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33);2,5-13,15H,1,3-4H2,(H2,24,25)
InChIKeyAQPJGIQLGKJQCW-UHFFFAOYSA-N
MW1702.00 g/mol
LogP18.64
Rot. Bonds15

About bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 157199215) has the molecular formula C101H84N22O4S and a molecular weight of 1702.00 g/mol. Its IUPAC name is bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Namebis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID157199215
Molecular FormulaC101H84N22O4S
Molecular Weight1702.00 g/mol
Exact Mass1700.68
IUPAC Namebis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12
InChIInChI=1S/2C26H22N6O.C26H21N5O2.C23H19N5S/c2*27-24-23-22(31-26(32(23)11-10-29-24)19-12-18(13-19)25(28)33)17-7-6-16-8-9-20(30-21(16)14-17)15-4-2-1-3-5-15;27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15;24-22-21-20(27-23(15-3-1-4-15)28(21)11-10-25-22)16-7-6-14-8-9-17(26-18(14)13-16)19-5-2-12-29-19/h2*1-11,14,18-19H,12-13H2,(H2,27,29)(H2,28,33);1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33);2,5-13,15H,1,3-4H2,(H2,24,25)
InChIKeyAQPJGIQLGKJQCW-UHFFFAOYSA-N
XLogP18.64
TPSA399.88 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001702.00
LogP ≤ 518.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 91109406
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 91582631
1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
CID 123705991
4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 157111342
3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 157222709
3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 157298396
Tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 157446103
Bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157970192
N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol
CID 158388758
3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 158430693
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 158475306
4-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 158598663

Frequently Asked Questions

What is the IUPAC name of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 157199215) is bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12.
What is the InChIKey of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is AQPJGIQLGKJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22N6O.C26H21N5O2.C23H19N5S/c2*27-24-23-22(31-26(32(23)11-10-29-24)19-12-18(13-19)25(28)33)17-7-6-16-8-9-20(30-21(16)14-17)15-4-2-1-3-5-15;27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15;24-22-21-20(27-23(15-3-1-4-15)28(21)11-10-25-22)16-7-6-14-8-9-17(26-18(14)13-16)19-5-2-12-29-19/h2*1-11,14,18-19H,12-13H2,(H2,27,29)(H2,28,33);1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33);2,5-13,15H,1,3-4H2,(H2,24,25).
What are the key properties of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1702.00 g/mol, XLogP of 18.64, 15 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 157199215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).