5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

About 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143588530) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name	5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID	143588530
Molecular Formula	C22H28N6O4
Molecular Weight	440.50 g/mol
Exact Mass	440.22
IUPAC Name	5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILES	CCc1c(/C=C\CCNC(=O)c2cc(C(=O)NCC(C)C)n3nccc3n2)oc(=O)n1C
InChI	InChI=1S/C22H28N6O4/c1-5-16-18(32-22(31)27(16)4)8-6-7-10-23-20(29)15-12-17(21(30)24-13-14(2)3)28-19(26-15)9-11-25-28/h6,8-9,11-12,14H,5,7,10,13H2,1-4H3,(H,23,29)(H,24,30)/b8-6-
InChIKey	TUEUCQOXOSATBV-VURMDHGXSA-N
XLogP	1.80
TPSA	123.53 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143588530) is 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CCc1c(/C=C\CCNC(=O)c2cc(C(=O)NCC(C)C)n3nccc3n2)oc(=O)n1C.

What is the InChIKey of 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is TUEUCQOXOSATBV-VURMDHGXSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-5-16-18(32-22(31)27(16)4)8-6-7-10-23-20(29)15-12-17(21(30)24-13-14(2)3)28-19(26-15)9-11-25-28/h6,8-9,11-12,14H,5,7,10,13H2,1-4H3,(H,23,29)(H,24,30)/b8-6-.

What are the key properties of 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 440.50 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143588530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).