3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

C36H46Cl2N8O3 — CID 161341661

IUPAC3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(C)CN1CCn2c(-c3ccc(Cl)cc3)nc(C(=O)N[C@H](CO)C(C)(C)C)c2C1.NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CNCC2
InChIInChI=1S/C23H33ClN4O2.C13H13ClN4O/c1-15(2)12-27-10-11-28-18(13-27)20(22(30)25-19(14-29)23(3,4)5)26-21(28)16-6-8-17(24)9-7-16;14-9-3-1-8(2-4-9)13-17-11(12(15)19)10-7-16-5-6-18(10)13/h6-9,15,19,29H,10-14H2,1-5H3,(H,25,30);1-4,16H,5-7H2,(H2,15,19)/t19-;/m1./s1
InChIKeyVMSZXUMCWQSSBX-FSRHSHDFSA-N
MW709.72 g/mol
LogP5.22
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 161341661) has the molecular formula C36H46Cl2N8O3 and a molecular weight of 709.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID161341661
Molecular FormulaC36H46Cl2N8O3
Molecular Weight709.72 g/mol
Exact Mass708.31
IUPAC Name3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(C)CN1CCn2c(-c3ccc(Cl)cc3)nc(C(=O)N[C@H](CO)C(C)(C)C)c2C1.NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CNCC2
InChIInChI=1S/C23H33ClN4O2.C13H13ClN4O/c1-15(2)12-27-10-11-28-18(13-27)20(22(30)25-19(14-29)23(3,4)5)26-21(28)16-6-8-17(24)9-7-16;14-9-3-1-8(2-4-9)13-17-11(12(15)19)10-7-16-5-6-18(10)13/h6-9,15,19,29H,10-14H2,1-5H3,(H,25,30);1-4,16H,5-7H2,(H2,15,19)/t19-;/m1./s1
InChIKeyVMSZXUMCWQSSBX-FSRHSHDFSA-N
XLogP5.22
TPSA143.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.72
LogP ≤ 55.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (CID 161341661) is 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is CC(C)CN1CCn2c(-c3ccc(Cl)cc3)nc(C(=O)N[C@H](CO)C(C)(C)C)c2C1.NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CNCC2.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is VMSZXUMCWQSSBX-FSRHSHDFSA-N. The full InChI is InChI=1S/C23H33ClN4O2.C13H13ClN4O/c1-15(2)12-27-10-11-28-18(13-27)20(22(30)25-19(14-29)23(3,4)5)26-21(28)16-6-8-17(24)9-7-16;14-9-3-1-8(2-4-9)13-17-11(12(15)19)10-7-16-5-6-18(10)13/h6-9,15,19,29H,10-14H2,1-5H3,(H,25,30);1-4,16H,5-7H2,(H2,15,19)/t19-;/m1./s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 709.72 g/mol, XLogP of 5.22, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 161341661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).