10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one

C22H32N6O2 — CID 20549900

IUPAC10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCCN(CC)CCN(CC)CC(=O)N1c2ccccc2NC(=O)c2c1c(C)nn2C
InChIInChI=1S/C22H32N6O2/c1-6-26(7-2)13-14-27(8-3)15-19(29)28-18-12-10-9-11-17(18)23-22(30)21-20(28)16(4)24-25(21)5/h9-12H,6-8,13-15H2,1-5H3,(H,23,30)
InChIKeyGNAKKISJCRZOHZ-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.62
Rot. Bonds8

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

10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (PubChem CID 20549900) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
PubChem CID20549900
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCCN(CC)CCN(CC)CC(=O)N1c2ccccc2NC(=O)c2c1c(C)nn2C
InChIInChI=1S/C22H32N6O2/c1-6-26(7-2)13-14-27(8-3)15-19(29)28-18-12-10-9-11-17(18)23-22(30)21-20(28)16(4)24-25(21)5/h9-12H,6-8,13-15H2,1-5H3,(H,23,30)
InChIKeyGNAKKISJCRZOHZ-UHFFFAOYSA-N
XLogP2.62
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (CID 20549900) is 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is CCN(CC)CCN(CC)CC(=O)N1c2ccccc2NC(=O)c2c1c(C)nn2C.
What is the InChIKey of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The InChIKey is GNAKKISJCRZOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-6-26(7-2)13-14-27(8-3)15-19(29)28-18-12-10-9-11-17(18)23-22(30)21-20(28)16(4)24-25(21)5/h9-12H,6-8,13-15H2,1-5H3,(H,23,30).
What are the key properties of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one has a molecular weight of 412.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 20549900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).