5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane

C136H156N24O5 — CID 159758997

IUPAC5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ccccc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2cccnc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ccncc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2cnccc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ncccc2N3)cn1
InChIInChI=1S/C24H20N4O.4C23H19N5O.10C2H6/c1-27-16-19(14-25-27)18-11-12-21-20(13-18)24(29)28(15-17-7-3-2-4-8-17)23-10-6-5-9-22(23)26-21;1-27-15-18(13-25-27)17-9-10-20-19(12-17)23(29)28(14-16-6-3-2-4-7-16)21-8-5-11-24-22(21)26-20;1-27-15-18(13-25-27)17-9-10-20-19(12-17)23(29)28(14-16-6-3-2-4-7-16)22-21(26-20)8-5-11-24-22;1-27-15-18(12-25-27)17-7-8-20-19(11-17)23(29)28(14-16-5-3-2-4-6-16)22-9-10-24-13-21(22)26-20;1-27-15-18(12-25-27)17-7-8-20-19(11-17)23(29)28(14-16-5-3-2-4-6-16)22-13-24-10-9-21(22)26-20;10*1-2/h2-14,16,26H,15H2,1H3;2-13,15H,14H2,1H3,(H,24,26);3*2-13,15,26H,14H2,1H3;10*1-2H3
InChIKeyNEQCOSIBJKNCCN-UHFFFAOYSA-N
MW2206.91 g/mol
LogP32.80
Rot. Bonds15

About 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane

5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane (PubChem CID 159758997) has the molecular formula C136H156N24O5 and a molecular weight of 2206.91 g/mol. Its IUPAC name is 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane.

Molecular Properties

Compound Name5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane
PubChem CID159758997
Molecular FormulaC136H156N24O5
Molecular Weight2206.91 g/mol
Exact Mass2205.27
IUPAC Name5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ccccc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2cccnc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ccncc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2cnccc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ncccc2N3)cn1
InChIInChI=1S/C24H20N4O.4C23H19N5O.10C2H6/c1-27-16-19(14-25-27)18-11-12-21-20(13-18)24(29)28(15-17-7-3-2-4-8-17)23-10-6-5-9-22(23)26-21;1-27-15-18(13-25-27)17-9-10-20-19(12-17)23(29)28(14-16-6-3-2-4-7-16)21-8-5-11-24-22(21)26-20;1-27-15-18(13-25-27)17-9-10-20-19(12-17)23(29)28(14-16-6-3-2-4-7-16)22-21(26-20)8-5-11-24-22;1-27-15-18(12-25-27)17-7-8-20-19(11-17)23(29)28(14-16-5-3-2-4-6-16)22-9-10-24-13-21(22)26-20;1-27-15-18(12-25-27)17-7-8-20-19(11-17)23(29)28(14-16-5-3-2-4-6-16)22-13-24-10-9-21(22)26-20;10*1-2/h2-14,16,26H,15H2,1H3;2-13,15H,14H2,1H3,(H,24,26);3*2-13,15,26H,14H2,1H3;10*1-2H3
InChIKeyNEQCOSIBJKNCCN-UHFFFAOYSA-N
XLogP32.80
TPSA302.36 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002206.91
LogP ≤ 532.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane?
The IUPAC name of 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane (CID 159758997) is 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane.
What is the SMILES notation for 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane?
The canonical SMILES for 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ccccc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2cccnc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ccncc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2cnccc2N3)cn1.Cn1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccc2)c2ncccc2N3)cn1.
What is the InChIKey of 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane?
The InChIKey is NEQCOSIBJKNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O.4C23H19N5O.10C2H6/c1-27-16-19(14-25-27)18-11-12-21-20(13-18)24(29)28(15-17-7-3-2-4-8-17)23-10-6-5-9-22(23)26-21;1-27-15-18(13-25-27)17-9-10-20-19(12-17)23(29)28(14-16-6-3-2-4-7-16)21-8-5-11-24-22(21)26-20;1-27-15-18(13-25-27)17-9-10-20-19(12-17)23(29)28(14-16-6-3-2-4-7-16)22-21(26-20)8-5-11-24-22;1-27-15-18(12-25-27)17-7-8-20-19(11-17)23(29)28(14-16-5-3-2-4-6-16)22-9-10-24-13-21(22)26-20;1-27-15-18(12-25-27)17-7-8-20-19(11-17)23(29)28(14-16-5-3-2-4-6-16)22-13-24-10-9-21(22)26-20;10*1-2/h2-14,16,26H,15H2,1H3;2-13,15H,14H2,1H3,(H,24,26);3*2-13,15,26H,14H2,1H3;10*1-2H3.
What are the key properties of 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane?
5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane has a molecular weight of 2206.91 g/mol, XLogP of 32.80, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane is sourced from PubChem (CID 159758997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).