2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide

C19H28N6O2 — CID 70741291

IUPAC2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
SMILESCCCN1CCCn2nc(CNC(=O)Cn3nc(C)c(C)cc3=O)cc2C1
InChIInChI=1S/C19H28N6O2/c1-4-6-23-7-5-8-24-17(12-23)10-16(22-24)11-20-18(26)13-25-19(27)9-14(2)15(3)21-25/h9-10H,4-8,11-13H2,1-3H3,(H,20,26)
InChIKeyATLBARPHLNMFIX-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.99
Rot. Bonds6

About 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide

2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide (PubChem CID 70741291) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
PubChem CID70741291
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
SMILESCCCN1CCCn2nc(CNC(=O)Cn3nc(C)c(C)cc3=O)cc2C1
InChIInChI=1S/C19H28N6O2/c1-4-6-23-7-5-8-24-17(12-23)10-16(22-24)11-20-18(26)13-25-19(27)9-14(2)15(3)21-25/h9-10H,4-8,11-13H2,1-3H3,(H,20,26)
InChIKeyATLBARPHLNMFIX-UHFFFAOYSA-N
XLogP0.99
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide (CID 70741291) is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide is CCCN1CCCn2nc(CNC(=O)Cn3nc(C)c(C)cc3=O)cc2C1.
What is the InChIKey of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
The InChIKey is ATLBARPHLNMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-4-6-23-7-5-8-24-17(12-23)10-16(22-24)11-20-18(26)13-25-19(27)9-14(2)15(3)21-25/h9-10H,4-8,11-13H2,1-3H3,(H,20,26).
What are the key properties of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide is sourced from PubChem (CID 70741291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).