7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine

C17H21ClN6 — CID 135759106

IUPAC7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCCn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1
InChIInChI=1S/C17H21ClN6/c1-3-24-11-13-16(21-24)19-14-5-4-12(18)10-15(14)20-17(13)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,21)
InChIKeyDOZKGRLEQYKHHD-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.94
Rot. Bonds1

About 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine

7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759106) has the molecular formula C17H21ClN6 and a molecular weight of 344.85 g/mol. Its IUPAC name is 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759106
Molecular FormulaC17H21ClN6
Molecular Weight344.85 g/mol
Exact Mass344.15
IUPAC Name7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCCn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1
InChIInChI=1S/C17H21ClN6/c1-3-24-11-13-16(21-24)19-14-5-4-12(18)10-15(14)20-17(13)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,21)
InChIKeyDOZKGRLEQYKHHD-UHFFFAOYSA-N
XLogP2.94
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-7-fluoro-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
CID 135759109
7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
CID 135570620
3-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
CID 135470431
3-chloro-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
CID 136912046
3-chloro-6-[4-[3-(4-chlorophenoxy)propyl]piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
CID 135869911
3-chloro-6-[4-[3-(4-methoxyphenoxy)propyl]piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
CID 135883339
3-chloro-6-[4-(3-phenoxypropyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine;hydrochloride
CID 135960084
4-[4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]-1-(4-methylphenyl)butan-1-one
CID 137224430
6-[4-[3-(4-bromophenoxy)propyl]piperazin-1-yl]-3-chloro-11H-benzo[b][1,4]benzodiazepine;hydrochloride
CID 135883329
3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
CID 135409468
1,14-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecane-1,14-dione
CID 57326791
1,12-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]dodecane-1,12-dione
CID 57326790

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759106) is 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is CCn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1.
What is the InChIKey of 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is DOZKGRLEQYKHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6/c1-3-24-11-13-16(21-24)19-14-5-4-12(18)10-15(14)20-17(13)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,21).
What are the key properties of 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 344.85 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).