1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one

C19H24N6O2 — CID 3086085

IUPAC1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCc1nn(C)c2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O
InChIInChI=1S/C19H24N6O2/c1-13-17-18(23(3)21-13)19(27)20-14-6-4-5-7-15(14)25(17)16(26)12-24-10-8-22(2)9-11-24/h4-7H,8-12H2,1-3H3,(H,20,27)
InChIKeyOBVFNDZOAJBXJM-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.21
Rot. Bonds2

About 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one

1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (PubChem CID 3086085) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
PubChem CID3086085
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCc1nn(C)c2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O
InChIInChI=1S/C19H24N6O2/c1-13-17-18(23(3)21-13)19(27)20-14-6-4-5-7-15(14)25(17)16(26)12-24-10-8-22(2)9-11-24/h4-7H,8-12H2,1-3H3,(H,20,27)
InChIKeyOBVFNDZOAJBXJM-UHFFFAOYSA-N
XLogP1.21
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (CID 3086085) is 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is Cc1nn(C)c2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.
What is the InChIKey of 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The InChIKey is OBVFNDZOAJBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-17-18(23(3)21-13)19(27)20-14-6-4-5-7-15(14)25(17)16(26)12-24-10-8-22(2)9-11-24/h4-7H,8-12H2,1-3H3,(H,20,27).
What are the key properties of 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one has a molecular weight of 368.44 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 3086085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).