2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide

C21H19N7O3S — CID 46490625

IUPAC2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1csc(N2CCOCC2)n1
InChIInChI=1S/C21H19N7O3S/c29-19(25-26-20(30)16-13-32-21(24-16)27-8-10-31-11-9-27)15-12-23-28-17(6-7-22-18(15)28)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,25,29)(H,26,30)
InChIKeyOZIFGZPFRBFSMO-UHFFFAOYSA-N
MW449.50 g/mol
LogP1.76
Rot. Bonds4

About 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 46490625) has the molecular formula C21H19N7O3S and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID46490625
Molecular FormulaC21H19N7O3S
Molecular Weight449.50 g/mol
Exact Mass449.13
IUPAC Name2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1csc(N2CCOCC2)n1
InChIInChI=1S/C21H19N7O3S/c29-19(25-26-20(30)16-13-32-21(24-16)27-8-10-31-11-9-27)15-12-23-28-17(6-7-22-18(15)28)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,25,29)(H,26,30)
InChIKeyOZIFGZPFRBFSMO-UHFFFAOYSA-N
XLogP1.76
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 46490625) is 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is OZIFGZPFRBFSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3S/c29-19(25-26-20(30)16-13-32-21(24-16)27-8-10-31-11-9-27)15-12-23-28-17(6-7-22-18(15)28)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,25,29)(H,26,30).
What are the key properties of 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 449.50 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46490625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).