N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide

C16H20N6O3 — CID 97389484

IUPACN-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1
InChIInChI=1S/C16H20N6O3/c1-12(23)18-7-16(25)21-9-13(8-20-6-5-17-14(20)11-21)10-22-15(24)3-2-4-19-22/h2-6,13H,7-11H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyJGCRMLGLWVPWFM-CYBMUJFWSA-N
MW344.38 g/mol
LogP-0.77
Rot. Bonds4

About N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide

N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (PubChem CID 97389484) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
PubChem CID97389484
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1
InChIInChI=1S/C16H20N6O3/c1-12(23)18-7-16(25)21-9-13(8-20-6-5-17-14(20)11-21)10-22-15(24)3-2-4-19-22/h2-6,13H,7-11H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyJGCRMLGLWVPWFM-CYBMUJFWSA-N
XLogP-0.77
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (CID 97389484) is N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1.
What is the InChIKey of N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The InChIKey is JGCRMLGLWVPWFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-12(23)18-7-16(25)21-9-13(8-20-6-5-17-14(20)11-21)10-22-15(24)3-2-4-19-22/h2-6,13H,7-11H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(6R)-6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is sourced from PubChem (CID 97389484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).