2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide

C17H20N6O — CID 166286682

IUPAC2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide
SMILESCn1nc(CC(=O)NC2CNCc3nccn3C2)c2ccccc21
InChIInChI=1S/C17H20N6O/c1-22-15-5-3-2-4-13(15)14(21-22)8-17(24)20-12-9-18-10-16-19-6-7-23(16)11-12/h2-7,12,18H,8-11H2,1H3,(H,20,24)
InChIKeyGXMOYEMKZYEEQC-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.60
Rot. Bonds3

About 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide

2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide (PubChem CID 166286682) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide
PubChem CID166286682
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide
SMILESCn1nc(CC(=O)NC2CNCc3nccn3C2)c2ccccc21
InChIInChI=1S/C17H20N6O/c1-22-15-5-3-2-4-13(15)14(21-22)8-17(24)20-12-9-18-10-16-19-6-7-23(16)11-12/h2-7,12,18H,8-11H2,1H3,(H,20,24)
InChIKeyGXMOYEMKZYEEQC-UHFFFAOYSA-N
XLogP0.60
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide?
The IUPAC name of 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide (CID 166286682) is 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide.
What is the SMILES notation for 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide?
The canonical SMILES for 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide is Cn1nc(CC(=O)NC2CNCc3nccn3C2)c2ccccc21.
What is the InChIKey of 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide?
The InChIKey is GXMOYEMKZYEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-15-5-3-2-4-13(15)14(21-22)8-17(24)20-12-9-18-10-16-19-6-7-23(16)11-12/h2-7,12,18H,8-11H2,1H3,(H,20,24).
What are the key properties of 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide?
2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide is sourced from PubChem (CID 166286682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).