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Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone

C25H32N4O2 — CID 154974784

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
SMILESCN(c1ccc2c(c1)N(C(=O)C1CCCCC1)Cc1cccnc1N2)C1CCOCC1
InChIInChI=1S/C25H32N4O2/c1-28(20-11-14-31-15-12-20)21-9-10-22-23(16-21)29(25(30)18-6-3-2-4-7-18)17-19-8-5-13-26-24(19)27-22/h5,8-10,13,16,18,20H,2-4,6-7,11-12,14-15,17H2,1H3,(H,26,27)
InChIKeyAVHKIFLNXNPYNO-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.87
Rot. Bonds3

About Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone

Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone (PubChem CID 154974784) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone.

Molecular Properties

Compound NameCyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
PubChem CID154974784
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Namecyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
SMILESCN(c1ccc2c(c1)N(C(=O)C1CCCCC1)Cc1cccnc1N2)C1CCOCC1
InChIInChI=1S/C25H32N4O2/c1-28(20-11-14-31-15-12-20)21-9-10-22-23(16-21)29(25(30)18-6-3-2-4-7-18)17-19-8-5-13-26-24(19)27-22/h5,8-10,13,16,18,20H,2-4,6-7,11-12,14-15,17H2,1H3,(H,26,27)
InChIKeyAVHKIFLNXNPYNO-UHFFFAOYSA-N
XLogP4.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?
The IUPAC name of Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone (CID 154974784) is cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone.
What is the SMILES notation for Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?
The canonical SMILES for Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone is CN(c1ccc2c(c1)N(C(=O)C1CCCCC1)Cc1cccnc1N2)C1CCOCC1.
What is the InChIKey of Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?
The InChIKey is AVHKIFLNXNPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-28(20-11-14-31-15-12-20)21-9-10-22-23(16-21)29(25(30)18-6-3-2-4-7-18)17-19-8-5-13-26-24(19)27-22/h5,8-10,13,16,18,20H,2-4,6-7,11-12,14-15,17H2,1H3,(H,26,27).
What are the key properties of Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?
Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone is sourced from PubChem (CID 154974784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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