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

C75H63N17O2S — CID 159333148

IUPACbis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);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(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12
InChIInChI=1S/2C26H22N6O.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;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);2,5-13,15H,1,3-4H2,(H2,24,25)
InChIKeyLFEZTEIPYHZNQA-UHFFFAOYSA-N
MW1266.51 g/mol
LogP13.87
Rot. Bonds11

About bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);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-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159333148) has the molecular formula C75H63N17O2S and a molecular weight of 1266.51 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-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-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID159333148
Molecular FormulaC75H63N17O2S
Molecular Weight1266.51 g/mol
Exact Mass1265.51
IUPAC Namebis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);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(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12
InChIInChI=1S/2C26H22N6O.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;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);2,5-13,15H,1,3-4H2,(H2,24,25)
InChIKeyLFEZTEIPYHZNQA-UHFFFAOYSA-N
XLogP13.87
TPSA293.48 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001266.51
LogP ≤ 513.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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Related Compounds

N-[3-[3-[2-[3-(imidazol-1-ylmethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52935637
[4-(8-Amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 59133193
4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
CID 66675904
4-[8-Amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 66676557
4-[8-Amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 66677008
N-[3-[3-[2-[4-(2,7-diazaspiro[4.4]nonan-2-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67161505
N-[3-[3-[2-[3-(2-pyrrolidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67162285
N-[3-[3-[2-[4-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67162675
4-[8-Amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 69303932
N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90781299
4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91131584
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 91315020

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-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-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 159333148) is bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide);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-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-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(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-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LFEZTEIPYHZNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22N6O.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;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);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-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-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1266.51 g/mol, XLogP of 13.87, 11 rotatable bonds, 5 hydrogen bond donors, and 18 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-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159333148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).