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

C19H25ClN6 — CID 135759098

IUPAC7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCC(C)Cn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1
InChIInChI=1S/C19H25ClN6/c1-13(2)11-26-12-15-18(23-26)21-16-5-4-14(20)10-17(16)22-19(15)25-8-6-24(3)7-9-25/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,23)
InChIKeyMGVUFBYZICTODX-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.58
Rot. Bonds2

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

7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759098) has the molecular formula C19H25ClN6 and a molecular weight of 372.90 g/mol. Its IUPAC name is 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759098
Molecular FormulaC19H25ClN6
Molecular Weight372.90 g/mol
Exact Mass372.18
IUPAC Name7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCC(C)Cn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1
InChIInChI=1S/C19H25ClN6/c1-13(2)11-26-12-15-18(23-26)21-16-5-4-14(20)10-17(16)22-19(15)25-8-6-24(3)7-9-25/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,23)
InChIKeyMGVUFBYZICTODX-UHFFFAOYSA-N
XLogP3.58
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
7-Chloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759106
6,7-Difluoro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759107
7-Chloro-2-cyclopentyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759108
7-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759114
4-(4-Cyclopropylmethyl-1-piperazinyl)-7-fluoro-2-methyl-2,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine
CID 135759121
7-Fluoro-10-(4-methyl-piperazin-1-yl)-2-propyl-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759127
7-Chloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797577
7-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797578
6,7-Dichloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026488
2-Benzyl-7-fluoro-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026490
8-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026497

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759098) is 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is CC(C)Cn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CCN(C)CC1.
What is the InChIKey of 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is MGVUFBYZICTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6/c1-13(2)11-26-12-15-18(23-26)21-16-5-4-14(20)10-17(16)22-19(15)25-8-6-24(3)7-9-25/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,23).
What are the key properties of 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 372.90 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).