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

C20H25ClN6 — CID 135759108

IUPAC7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C4CCCC4)cc32)CC1
InChIInChI=1S/C20H25ClN6/c1-25-8-10-26(11-9-25)20-16-13-27(15-4-2-3-5-15)24-19(16)22-17-7-6-14(21)12-18(17)23-20/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,22,24)
InChIKeyFGIWRGQKBCZMMU-UHFFFAOYSA-N
MW384.92 g/mol
LogP4.03
Rot. Bonds1

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

7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759108) has the molecular formula C20H25ClN6 and a molecular weight of 384.92 g/mol. Its IUPAC name is 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759108
Molecular FormulaC20H25ClN6
Molecular Weight384.92 g/mol
Exact Mass384.18
IUPAC Name7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C4CCCC4)cc32)CC1
InChIInChI=1S/C20H25ClN6/c1-25-8-10-26(11-9-25)20-16-13-27(15-4-2-3-5-15)24-19(16)22-17-7-6-14(21)12-18(17)23-20/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,22,24)
InChIKeyFGIWRGQKBCZMMU-UHFFFAOYSA-N
XLogP4.03
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759108) is 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is CN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C4CCCC4)cc32)CC1.
What is the InChIKey of 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is FGIWRGQKBCZMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6/c1-25-8-10-26(11-9-25)20-16-13-27(15-4-2-3-5-15)24-19(16)22-17-7-6-14(21)12-18(17)23-20/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,22,24).
What are the key properties of 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 384.92 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopentyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).