4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide

C79H79N21O8 — CID 162152687

IUPAC4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c2c(N)nccn12
InChIInChI=1S/C27H29N7O3.C27H27N7O3.C25H23N7O2/c1-17-7-12-21(30-16-17)31-27(36)20-10-8-19(9-11-20)23-24-25(28)29-13-14-34(24)26(32-23)18(2)33(3)22(35)6-5-15-37-4;1-6-7-22(35)33(4)17(3)26-32-23(24-25(28)29-12-13-34(24)26)18-9-10-19(20(14-18)37-5)27(36)31-21-11-8-16(2)15-30-21;1-4-7-20(33)31(3)16(2)24-30-21(22-23(26)28-14-15-32(22)24)17-9-11-18(12-10-17)25(34)29-19-8-5-6-13-27-19/h5-14,16,18H,15H2,1-4H3,(H2,28,29)(H,30,31,36);8-15,17H,1-5H3,(H2,28,29)(H,30,31,36);5-6,8-16H,1-3H3,(H2,26,28)(H,27,29,34)/b6-5+;;/t18-;17-;16-/m000/s1
InChIKeyZLKOWNDEORXCON-UEZDNZIGSA-N
MW1450.64 g/mol
LogP10.31
Rot. Bonds19

About 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide

4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 162152687) has the molecular formula C79H79N21O8 and a molecular weight of 1450.64 g/mol. Its IUPAC name is 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID162152687
Molecular FormulaC79H79N21O8
Molecular Weight1450.64 g/mol
Exact Mass1449.64
IUPAC Name4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c2c(N)nccn12
InChIInChI=1S/C27H29N7O3.C27H27N7O3.C25H23N7O2/c1-17-7-12-21(30-16-17)31-27(36)20-10-8-19(9-11-20)23-24-25(28)29-13-14-34(24)26(32-23)18(2)33(3)22(35)6-5-15-37-4;1-6-7-22(35)33(4)17(3)26-32-23(24-25(28)29-12-13-34(24)26)18-9-10-19(20(14-18)37-5)27(36)31-21-11-8-16(2)15-30-21;1-4-7-20(33)31(3)16(2)24-30-21(22-23(26)28-14-15-32(22)24)17-9-11-18(12-10-17)25(34)29-19-8-5-6-13-27-19/h5-14,16,18H,15H2,1-4H3,(H2,28,29)(H,30,31,36);8-15,17H,1-5H3,(H2,28,29)(H,30,31,36);5-6,8-16H,1-3H3,(H2,26,28)(H,27,29,34)/b6-5+;;/t18-;17-;16-/m000/s1
InChIKeyZLKOWNDEORXCON-UEZDNZIGSA-N
XLogP10.31
TPSA373.99 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001450.64
LogP ≤ 510.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide with MolForge

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Related Compounds

4-[8-amino-3-[(2S)-1-(4-methoxybut-2-enoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 123647266
4-[8-amino-3-[(2S)-1-[(E)-4-[[(5S)-5-[8-amino-1-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-but-2-ynoylpyrrolidin-3-yl]methoxy]but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 144831978
4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 135177660
4-[8-amino-3-[(but-2-ynoylamino)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 90186394
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-1-(3-cyclopropylprop-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 158297079
4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323767
4-[8-amino-3-(aminomethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226567
4-[8-amino-3-[(2S)-1-[(E)-4-methoxybut-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide
CID 90186194
4-[8-amino-3-[(2R)-1-but-2-ynoyl-2-methylsulfanylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide
CID 145426656
4-[3-[(2S,3aR,6aS)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 146508336
4-[8-amino-3-[(2S)-1-[(E)-4-methoxybut-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yl-2-pyridinyl)benzamide
CID 138709806
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226663

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide (CID 162152687) is 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide is CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c2c(N)nccn12.
What is the InChIKey of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is ZLKOWNDEORXCON-UEZDNZIGSA-N. The full InChI is InChI=1S/C27H29N7O3.C27H27N7O3.C25H23N7O2/c1-17-7-12-21(30-16-17)31-27(36)20-10-8-19(9-11-20)23-24-25(28)29-13-14-34(24)26(32-23)18(2)33(3)22(35)6-5-15-37-4;1-6-7-22(35)33(4)17(3)26-32-23(24-25(28)29-12-13-34(24)26)18-9-10-19(20(14-18)37-5)27(36)31-21-11-8-16(2)15-30-21;1-4-7-20(33)31(3)16(2)24-30-21(22-23(26)28-14-15-32(22)24)17-9-11-18(12-10-17)25(34)29-19-8-5-6-13-27-19/h5-14,16,18H,15H2,1-4H3,(H2,28,29)(H,30,31,36);8-15,17H,1-5H3,(H2,28,29)(H,30,31,36);5-6,8-16H,1-3H3,(H2,26,28)(H,27,29,34)/b6-5+;;/t18-;17-;16-/m000/s1.
What are the key properties of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide?
4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 1450.64 g/mol, XLogP of 10.31, 19 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]-methylamino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 162152687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).