7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine

C23H24ClFN6 — CID 21431400

IUPAC7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
SMILESCN1CCN(CC2=NN=C3CN=C(c4ccccc4Cl)c4ccc(F)cc4N3C2)CC1
InChIInChI=1S/C23H24ClFN6/c1-29-8-10-30(11-9-29)14-17-15-31-21-12-16(25)6-7-19(21)23(26-13-22(31)28-27-17)18-4-2-3-5-20(18)24/h2-7,12H,8-11,13-15H2,1H3
InChIKeyGXVDTAFOSKRTRR-UHFFFAOYSA-N
MW438.94 g/mol
LogP3.15
Rot. Bonds3

About 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine

7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine (PubChem CID 21431400) has the molecular formula C23H24ClFN6 and a molecular weight of 438.94 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
PubChem CID21431400
Molecular FormulaC23H24ClFN6
Molecular Weight438.94 g/mol
Exact Mass438.17
IUPAC Name7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
SMILESCN1CCN(CC2=NN=C3CN=C(c4ccccc4Cl)c4ccc(F)cc4N3C2)CC1
InChIInChI=1S/C23H24ClFN6/c1-29-8-10-30(11-9-29)14-17-15-31-21-12-16(25)6-7-19(21)23(26-13-22(31)28-27-17)18-4-2-3-5-20(18)24/h2-7,12H,8-11,13-15H2,1H3
InChIKeyGXVDTAFOSKRTRR-UHFFFAOYSA-N
XLogP3.15
TPSA46.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine with MolForge

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Related Compounds

8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
CID 11724853
2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin-1-Yl)-Dibenzodiazepine
CID 91808045
9-chloro-7-(2-chlorophenyl)-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
CID 12665675
5-(2-chlorophenyl)-7-fluoro-1-(1-methylpiperidin-4-yl)-3H-1,4-benzodiazepin-2-one
CID 13450691
6-chloro-4-(3-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758371
7-chloro-N-(4-fluorophenyl)-1-[3-(1-piperidyl)propyl]quinolin-4-imine
CID 72703268
8-Chloro-3-fluoro-11-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine
CID 122187536
8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-imidazo(1,5-a)(1,4)benzodiazepine
CID 11023909
9-chloro-3-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
CID 12665674
6-chloro-4-(4-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756884
7-benzyl-9-chloro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
CID 12665677
3-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5H-1-benzazepine;dihydrochloride
CID 13953526

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine?
The IUPAC name of 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine (CID 21431400) is 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine.
What is the SMILES notation for 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine?
The canonical SMILES for 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine is CN1CCN(CC2=NN=C3CN=C(c4ccccc4Cl)c4ccc(F)cc4N3C2)CC1.
What is the InChIKey of 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine?
The InChIKey is GXVDTAFOSKRTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6/c1-29-8-10-30(11-9-29)14-17-15-31-21-12-16(25)6-7-19(21)23(26-13-22(31)28-27-17)18-4-2-3-5-20(18)24/h2-7,12H,8-11,13-15H2,1H3.
What are the key properties of 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine?
7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine has a molecular weight of 438.94 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-10-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine is sourced from PubChem (CID 21431400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).