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

C16H19ClN6 — CID 135759114

IUPAC7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C)cc32)CC1
InChIInChI=1S/C16H19ClN6/c1-21-5-7-23(8-6-21)16-12-10-22(2)20-15(12)18-13-4-3-11(17)9-14(13)19-16/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)
InChIKeyLBZWPAIXXRQBFP-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.46
Rot. Bonds

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

7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759114) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759114
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C)cc32)CC1
InChIInChI=1S/C16H19ClN6/c1-21-5-7-23(8-6-21)16-12-10-22(2)20-15(12)18-13-4-3-11(17)9-14(13)19-16/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)
InChIKeyLBZWPAIXXRQBFP-UHFFFAOYSA-N
XLogP2.46
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759114) is 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is CN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C)cc32)CC1.
What is the InChIKey of 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is LBZWPAIXXRQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c1-21-5-7-23(8-6-21)16-12-10-22(2)20-15(12)18-13-4-3-11(17)9-14(13)19-16/h3-4,9-10H,5-8H2,1-2H3,(H,18,20).
What are the key properties of 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 330.82 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).