3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane

C121H119ClN20O11 — CID 159961944

IUPAC3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane
SMILESC.C=CC(=C)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1Cl.C=CC(=C)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1OC.C=CC(=O)Cc1ccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)cc1C.C=CC(=O)Cc1cccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)c1
InChIInChI=1S/C31H31N5O3.C30H28ClN5O2.C30H29N5O3.C29H27N5O3.CH4/c1-4-21(2)17-23-19-24(12-13-27(23)39-3)33-30(37)29-26-20-35(31(38)25-11-8-14-32-25)15-16-36(26)28(34-29)18-22-9-6-5-7-10-22;1-3-20(2)16-22-18-23(11-12-24(22)31)33-29(37)28-26-19-35(30(38)25-10-7-13-32-25)14-15-36(26)27(34-28)17-21-8-5-4-6-9-21;1-3-24(36)18-22-11-12-23(16-20(22)2)32-29(37)28-26-19-34(30(38)25-10-7-13-31-25)14-15-35(26)27(33-28)17-21-8-5-4-6-9-21;1-2-23(35)17-21-10-6-11-22(16-21)31-28(36)27-25-19-33(29(37)24-12-7-13-30-24)14-15-34(25)26(32-27)18-20-8-4-3-5-9-20;/h4-14,19,32H,1-2,15-18,20H2,3H3,(H,33,37);3-13,18,32H,1-2,14-17,19H2,(H,33,37);3-13,16,31H,1,14-15,17-19H2,2H3,(H,32,37);2-13,16,30H,1,14-15,17-19H2,(H,31,36);1H4
InChIKeyODLGKUJMACLEJE-UHFFFAOYSA-N
MW2064.86 g/mol
LogP19.61
Rot. Bonds33

About 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane

3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane (PubChem CID 159961944) has the molecular formula C121H119ClN20O11 and a molecular weight of 2064.86 g/mol. Its IUPAC name is 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane.

Molecular Properties

Compound Name3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane
PubChem CID159961944
Molecular FormulaC121H119ClN20O11
Molecular Weight2064.86 g/mol
Exact Mass2062.91
IUPAC Name3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane
SMILESC.C=CC(=C)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1Cl.C=CC(=C)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1OC.C=CC(=O)Cc1ccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)cc1C.C=CC(=O)Cc1cccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)c1
InChIInChI=1S/C31H31N5O3.C30H28ClN5O2.C30H29N5O3.C29H27N5O3.CH4/c1-4-21(2)17-23-19-24(12-13-27(23)39-3)33-30(37)29-26-20-35(31(38)25-11-8-14-32-25)15-16-36(26)28(34-29)18-22-9-6-5-7-10-22;1-3-20(2)16-22-18-23(11-12-24(22)31)33-29(37)28-26-19-35(30(38)25-10-7-13-32-25)14-15-36(26)27(34-28)17-21-8-5-4-6-9-21;1-3-24(36)18-22-11-12-23(16-20(22)2)32-29(37)28-26-19-34(30(38)25-10-7-13-31-25)14-15-35(26)27(33-28)17-21-8-5-4-6-9-21;1-2-23(35)17-21-10-6-11-22(16-21)31-28(36)27-25-19-33(29(37)24-12-7-13-30-24)14-15-34(25)26(32-27)18-20-8-4-3-5-9-20;/h4-14,19,32H,1-2,15-18,20H2,3H3,(H,33,37);3-13,18,32H,1-2,14-17,19H2,(H,33,37);3-13,16,31H,1,14-15,17-19H2,2H3,(H,32,37);2-13,16,30H,1,14-15,17-19H2,(H,31,36);1H4
InChIKeyODLGKUJMACLEJE-UHFFFAOYSA-N
XLogP19.61
TPSA375.45 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002064.86
LogP ≤ 519.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane?
The IUPAC name of 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane (CID 159961944) is 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane.
What is the SMILES notation for 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane?
The canonical SMILES for 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane is C.C=CC(=C)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1Cl.C=CC(=C)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1OC.C=CC(=O)Cc1ccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)cc1C.C=CC(=O)Cc1cccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)c1.
What is the InChIKey of 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane?
The InChIKey is ODLGKUJMACLEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3.C30H28ClN5O2.C30H29N5O3.C29H27N5O3.CH4/c1-4-21(2)17-23-19-24(12-13-27(23)39-3)33-30(37)29-26-20-35(31(38)25-11-8-14-32-25)15-16-36(26)28(34-29)18-22-9-6-5-7-10-22;1-3-20(2)16-22-18-23(11-12-24(22)31)33-29(37)28-26-19-35(30(38)25-10-7-13-32-25)14-15-36(26)27(34-28)17-21-8-5-4-6-9-21;1-3-24(36)18-22-11-12-23(16-20(22)2)32-29(37)28-26-19-34(30(38)25-10-7-13-31-25)14-15-35(26)27(33-28)17-21-8-5-4-6-9-21;1-2-23(35)17-21-10-6-11-22(16-21)31-28(36)27-25-19-33(29(37)24-12-7-13-30-24)14-15-34(25)26(32-27)18-20-8-4-3-5-9-20;/h4-14,19,32H,1-2,15-18,20H2,3H3,(H,33,37);3-13,18,32H,1-2,14-17,19H2,(H,33,37);3-13,16,31H,1,14-15,17-19H2,2H3,(H,32,37);2-13,16,30H,1,14-15,17-19H2,(H,31,36);1H4.
What are the key properties of 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane?
3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane has a molecular weight of 2064.86 g/mol, XLogP of 19.61, 33 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane is sourced from PubChem (CID 159961944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).