10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one

C17H21N5O2 — CID 20549909

IUPAC10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCCn1nc(C)c2c1C(=O)Nc1ccccc1N2C(=O)C(C)(C)N
InChIInChI=1S/C17H21N5O2/c1-5-21-14-13(10(2)20-21)22(16(24)17(3,4)18)12-9-7-6-8-11(12)19-15(14)23/h6-9H,5,18H2,1-4H3,(H,19,23)
InChIKeyKRNQXFCRMPARKH-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.18
Rot. Bonds2

About 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one

10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (PubChem CID 20549909) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
PubChem CID20549909
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
SMILESCCn1nc(C)c2c1C(=O)Nc1ccccc1N2C(=O)C(C)(C)N
InChIInChI=1S/C17H21N5O2/c1-5-21-14-13(10(2)20-21)22(16(24)17(3,4)18)12-9-7-6-8-11(12)19-15(14)23/h6-9H,5,18H2,1-4H3,(H,19,23)
InChIKeyKRNQXFCRMPARKH-UHFFFAOYSA-N
XLogP2.18
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

10-(2-amino-2-methylpropanoyl)-1-methyl-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549963
10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549961
10-(2-chloroacetyl)-1-methyl-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549927
10-[2-[2-(diethylamino)ethyl-ethylamino]acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549900
10-(2-chloroacetyl)-3-ethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549937
10-(5-chloropentanoyl)-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549822
10-[2-(dimethylamino)propanoyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549817
1-methyl-3-propan-2-yl-10-(2-pyrrolidin-1-ylacetyl)-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549831
1,3-dimethyl-10-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549983
1,3-dimethyl-10-[6-(4-methylpiperazin-1-yl)hexanoyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 70385064
10-[2-(4-benzylpiperazin-1-yl)acetyl]-1,3-dimethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549855
1,3-dimethyl-10-[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one;hydrochloride
CID 162641398

Frequently Asked Questions

What is the IUPAC name of 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one (CID 20549909) is 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is CCn1nc(C)c2c1C(=O)Nc1ccccc1N2C(=O)C(C)(C)N.
What is the InChIKey of 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
The InChIKey is KRNQXFCRMPARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-5-21-14-13(10(2)20-21)22(16(24)17(3,4)18)12-9-7-6-8-11(12)19-15(14)23/h6-9H,5,18H2,1-4H3,(H,19,23).
What are the key properties of 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one?
10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one has a molecular weight of 327.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-amino-2-methylpropanoyl)-3-ethyl-1-methyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 20549909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).