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

C23H34N6O2 — CID 20549818

IUPAC10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCCN(CC)CCN(CC)CC(=O)N1c2ccccc2NC(=O)c2c1cnn2C(C)C
InChIInChI=1S/C23H34N6O2/c1-6-26(7-2)13-14-27(8-3)16-21(30)28-19-12-10-9-11-18(19)25-23(31)22-20(28)15-24-29(22)17(4)5/h9-12,15,17H,6-8,13-14,16H2,1-5H3,(H,25,31)
InChIKeyHGNVNVWJFHYDLI-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.36
Rot. Bonds9

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

10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (PubChem CID 20549818) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
PubChem CID20549818
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCCN(CC)CCN(CC)CC(=O)N1c2ccccc2NC(=O)c2c1cnn2C(C)C
InChIInChI=1S/C23H34N6O2/c1-6-26(7-2)13-14-27(8-3)16-21(30)28-19-12-10-9-11-18(19)25-23(31)22-20(28)15-24-29(22)17(4)5/h9-12,15,17H,6-8,13-14,16H2,1-5H3,(H,25,31)
InChIKeyHGNVNVWJFHYDLI-UHFFFAOYSA-N
XLogP3.36
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.36
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]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (CID 20549818) is 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is CCN(CC)CCN(CC)CC(=O)N1c2ccccc2NC(=O)c2c1cnn2C(C)C.
What is the InChIKey of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The InChIKey is HGNVNVWJFHYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-6-26(7-2)13-14-27(8-3)16-21(30)28-19-12-10-9-11-18(19)25-23(31)22-20(28)15-24-29(22)17(4)5/h9-12,15,17H,6-8,13-14,16H2,1-5H3,(H,25,31).
What are the key properties of 10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one has a molecular weight of 426.57 g/mol, XLogP of 3.36, 9 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]-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 20549818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).