4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine

C19H23FN6 — CID 135759121

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(CC2CC2)CC1
InChIInChI=1S/C19H23FN6/c1-24-12-15-18(23-24)21-16-5-4-14(20)10-17(16)22-19(15)26-8-6-25(7-9-26)11-13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,23)
InChIKeyZEBMXWFZKAPFND-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.72
Rot. Bonds2

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

4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759121) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759121
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(CC2CC2)CC1
InChIInChI=1S/C19H23FN6/c1-24-12-15-18(23-24)21-16-5-4-14(20)10-17(16)22-19(15)26-8-6-25(7-9-26)11-13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,23)
InChIKeyZEBMXWFZKAPFND-UHFFFAOYSA-N
XLogP2.72
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759121) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine is Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is ZEBMXWFZKAPFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-24-12-15-18(23-24)21-16-5-4-14(20)10-17(16)22-19(15)26-8-6-25(7-9-26)11-13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,23).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 354.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-7-fluoro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).