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

C15H20N6O2 — CID 118741151

IUPACN-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(Cn2cccn2)C1
InChIInChI=1S/C15H20N6O2/c1-12(22)17-7-15(23)20-9-13(10-21-5-2-3-18-21)8-19-6-4-16-14(19)11-20/h2-6,13H,7-11H2,1H3,(H,17,22)
InChIKeyNJEYOHMALIVQRO-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.13
Rot. Bonds4

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

N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (PubChem CID 118741151) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
PubChem CID118741151
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(Cn2cccn2)C1
InChIInChI=1S/C15H20N6O2/c1-12(22)17-7-15(23)20-9-13(10-21-5-2-3-18-21)8-19-6-4-16-14(19)11-20/h2-6,13H,7-11H2,1H3,(H,17,22)
InChIKeyNJEYOHMALIVQRO-UHFFFAOYSA-N
XLogP-0.13
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (CID 118741151) is N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-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-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(Cn2cccn2)C1.
What is the InChIKey of N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The InChIKey is NJEYOHMALIVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12(22)17-7-15(23)20-9-13(10-21-5-2-3-18-21)8-19-6-4-16-14(19)11-20/h2-6,13H,7-11H2,1H3,(H,17,22).
What are the key properties of N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide has a molecular weight of 316.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is sourced from PubChem (CID 118741151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).