benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide

C83H88BrN15O6 — CID 159626490

IUPACbenzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccnc(NC(=O)c2ccc(-c3nc(C4CCCCC4)n4ccnc(C)c34)cc2)c1.CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OCc4ccccc4)n4ccnc(C)c34)cc2)c1.Cc1nccn2c([C@@H]3CCCCN3C(=O)OCc3ccccc3)nc(Br)c12
InChIInChI=1S/C35H36N6O3.C28H31N5O.C20H21BrN4O2/c1-3-9-25-17-18-37-30(22-25)38-34(42)28-15-13-27(14-16-28)31-32-24(2)36-19-21-41(32)33(39-31)29-12-7-8-20-40(29)35(43)44-23-26-10-5-4-6-11-26;1-3-7-20-14-15-30-24(18-20)31-28(34)23-12-10-21(11-13-23)25-26-19(2)29-16-17-33(26)27(32-25)22-8-5-4-6-9-22;1-14-17-18(21)23-19(25(17)12-10-22-14)16-9-5-6-11-24(16)20(26)27-13-15-7-3-2-4-8-15/h4-6,10-11,13-19,21-22,29H,3,7-9,12,20,23H2,1-2H3,(H,37,38,42);10-18,22H,3-9H2,1-2H3,(H,30,31,34);2-4,7-8,10,12,16H,5-6,9,11,13H2,1H3/t29-;;16-/m0.0/s1
InChIKeyMOOFQPALPYCTKV-RCYSLWJPSA-N
MW1471.62 g/mol
LogP18.18
Rot. Bonds17

About benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide

benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide (PubChem CID 159626490) has the molecular formula C83H88BrN15O6 and a molecular weight of 1471.62 g/mol. Its IUPAC name is benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Namebenzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide
PubChem CID159626490
Molecular FormulaC83H88BrN15O6
Molecular Weight1471.62 g/mol
Exact Mass1469.62
IUPAC Namebenzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccnc(NC(=O)c2ccc(-c3nc(C4CCCCC4)n4ccnc(C)c34)cc2)c1.CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OCc4ccccc4)n4ccnc(C)c34)cc2)c1.Cc1nccn2c([C@@H]3CCCCN3C(=O)OCc3ccccc3)nc(Br)c12
InChIInChI=1S/C35H36N6O3.C28H31N5O.C20H21BrN4O2/c1-3-9-25-17-18-37-30(22-25)38-34(42)28-15-13-27(14-16-28)31-32-24(2)36-19-21-41(32)33(39-31)29-12-7-8-20-40(29)35(43)44-23-26-10-5-4-6-11-26;1-3-7-20-14-15-30-24(18-20)31-28(34)23-12-10-21(11-13-23)25-26-19(2)29-16-17-33(26)27(32-25)22-8-5-4-6-9-22;1-14-17-18(21)23-19(25(17)12-10-22-14)16-9-5-6-11-24(16)20(26)27-13-15-7-3-2-4-8-15/h4-6,10-11,13-19,21-22,29H,3,7-9,12,20,23H2,1-2H3,(H,37,38,42);10-18,22H,3-9H2,1-2H3,(H,30,31,34);2-4,7-8,10,12,16H,5-6,9,11,13H2,1H3/t29-;;16-/m0.0/s1
InChIKeyMOOFQPALPYCTKV-RCYSLWJPSA-N
XLogP18.18
TPSA233.63 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.62
LogP ≤ 518.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide with MolForge

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Related Compounds

methyl 2-[[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]pyridine-4-carboxylate
CID 77107455
US9718828, Example, 132
CID 71222718
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(1-methoxyethyl)-2-pyridinyl]benzamide
CID 76901986
US9718828, Example, 107
CID 90323689
US9718828, Example, 149
CID 71222818
Benzyl 2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
CID 78043516
(2S,5R)-benzyl 5-(8-amino-1-(4-((4-(trifluoromethyl)pyridin-2-yl)carbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 86727875
4-[8-amino-3-[1-(1-phenylmethoxyethenyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 89393086
benzyl (2S,5R)-5-[8-amino-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-(methoxymethyl)piperidine-1-carboxylate
CID 90302907
Benzyl 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-(methoxymethyl)piperidine-1-carboxylate
CID 90303860
benzyl N-[(1S,3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]carbamate
CID 90323703
benzyl N-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]propyl]carbamate
CID 90323717

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide?
The IUPAC name of benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide (CID 159626490) is benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide.
What is the SMILES notation for benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide?
The canonical SMILES for benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide is CCCc1ccnc(NC(=O)c2ccc(-c3nc(C4CCCCC4)n4ccnc(C)c34)cc2)c1.CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OCc4ccccc4)n4ccnc(C)c34)cc2)c1.Cc1nccn2c([C@@H]3CCCCN3C(=O)OCc3ccccc3)nc(Br)c12.
What is the InChIKey of benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide?
The InChIKey is MOOFQPALPYCTKV-RCYSLWJPSA-N. The full InChI is InChI=1S/C35H36N6O3.C28H31N5O.C20H21BrN4O2/c1-3-9-25-17-18-37-30(22-25)38-34(42)28-15-13-27(14-16-28)31-32-24(2)36-19-21-41(32)33(39-31)29-12-7-8-20-40(29)35(43)44-23-26-10-5-4-6-11-26;1-3-7-20-14-15-30-24(18-20)31-28(34)23-12-10-21(11-13-23)25-26-19(2)29-16-17-33(26)27(32-25)22-8-5-4-6-9-22;1-14-17-18(21)23-19(25(17)12-10-22-14)16-9-5-6-11-24(16)20(26)27-13-15-7-3-2-4-8-15/h4-6,10-11,13-19,21-22,29H,3,7-9,12,20,23H2,1-2H3,(H,37,38,42);10-18,22H,3-9H2,1-2H3,(H,30,31,34);2-4,7-8,10,12,16H,5-6,9,11,13H2,1H3/t29-;;16-/m0.0/s1.
What are the key properties of benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide?
benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide has a molecular weight of 1471.62 g/mol, XLogP of 18.18, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(1-bromo-8-methylimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (2S)-2-[8-methyl-1-[4-[(4-propyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;4-(3-cyclohexyl-8-methylimidazo[1,5-a]pyrazin-1-yl)-N-(4-propyl-2-pyridinyl)benzamide is sourced from PubChem (CID 159626490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).