2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide

About 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide (PubChem CID 167893332) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name	2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
PubChem CID	167893332
Molecular Formula	C19H26N6O3
Molecular Weight	386.46 g/mol
Exact Mass	386.21
IUPAC Name	2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
SMILES	Cc1cc(C)n(CC2CN(C(=O)C(=O)NC3CCc4[nH]ncc4C3)CCO2)n1
InChI	InChI=1S/C19H26N6O3/c1-12-7-13(2)25(23-12)11-16-10-24(5-6-28-16)19(27)18(26)21-15-3-4-17-14(8-15)9-20-22-17/h7,9,15-16H,3-6,8,10-11H2,1-2H3,(H,20,22)(H,21,26)
InChIKey	UBMGXVJFTPZUIO-UHFFFAOYSA-N
XLogP	0.12
TPSA	105.14 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?

The IUPAC name of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide (CID 167893332) is 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide.

What is the SMILES notation for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?

The canonical SMILES for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide is Cc1cc(C)n(CC2CN(C(=O)C(=O)NC3CCc4[nH]ncc4C3)CCO2)n1.

What is the InChIKey of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?

The InChIKey is UBMGXVJFTPZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-12-7-13(2)25(23-12)11-16-10-24(5-6-28-16)19(27)18(26)21-15-3-4-17-14(8-15)9-20-22-17/h7,9,15-16H,3-6,8,10-11H2,1-2H3,(H,20,22)(H,21,26).

What are the key properties of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide is sourced from PubChem (CID 167893332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).