3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide

C24H26ClN7O2 — CID 50915802

IUPAC3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1cc(Cl)c(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)c(NC)c1
InChIInChI=1S/C24H26ClN7O2/c1-26-19-12-16(23(33)27-2)11-17(25)22(19)31-8-6-30(7-9-31)14-15-10-18-21(28-13-15)20-4-3-5-32(20)24(34)29-18/h3-5,10-13,26H,6-9,14H2,1-2H3,(H,27,33)(H,29,34)
InChIKeyZDSVSSHDYBWTLS-UHFFFAOYSA-N
MW479.97 g/mol
LogP2.55
Rot. Bonds5

About 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide

3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide (PubChem CID 50915802) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide
PubChem CID50915802
Molecular FormulaC24H26ClN7O2
Molecular Weight479.97 g/mol
Exact Mass479.18
IUPAC Name3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1cc(Cl)c(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)c(NC)c1
InChIInChI=1S/C24H26ClN7O2/c1-26-19-12-16(23(33)27-2)11-17(25)22(19)31-8-6-30(7-9-31)14-15-10-18-21(28-13-15)20-4-3-5-32(20)24(34)29-18/h3-5,10-13,26H,6-9,14H2,1-2H3,(H,27,33)(H,29,34)
InChIKeyZDSVSSHDYBWTLS-UHFFFAOYSA-N
XLogP2.55
TPSA97.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide (CID 50915802) is 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide is CNC(=O)c1cc(Cl)c(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)c(NC)c1.
What is the InChIKey of 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide?
The InChIKey is ZDSVSSHDYBWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-26-19-12-16(23(33)27-2)11-17(25)22(19)31-8-6-30(7-9-31)14-15-10-18-21(28-13-15)20-4-3-5-32(20)24(34)29-18/h3-5,10-13,26H,6-9,14H2,1-2H3,(H,27,33)(H,29,34).
What are the key properties of 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide?
3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide has a molecular weight of 479.97 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 50915802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).