7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C26H19N7O4 — CID 71178354

IUPAC7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESN#CC12CC34C1=CC3(CNC(=O)c1cc(C(=O)NCc3ccc5oc(=O)[nH]c5c3)nc3ccnn13)CC24
InChIInChI=1S/C26H19N7O4/c27-11-25-10-26-18(25)7-24(26,8-19(25)26)12-29-22(35)16-6-15(31-20-3-4-30-33(16)20)21(34)28-9-13-1-2-17-14(5-13)32-23(36)37-17/h1-7,19H,8-10,12H2,(H,28,34)(H,29,35)(H,32,36)
InChIKeyXOEMAURDFDJUDK-UHFFFAOYSA-N
MW493.48 g/mol
LogP1.68
Rot. Bonds6

About 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 71178354) has the molecular formula C26H19N7O4 and a molecular weight of 493.48 g/mol. Its IUPAC name is 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID71178354
Molecular FormulaC26H19N7O4
Molecular Weight493.48 g/mol
Exact Mass493.15
IUPAC Name7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESN#CC12CC34C1=CC3(CNC(=O)c1cc(C(=O)NCc3ccc5oc(=O)[nH]c5c3)nc3ccnn13)CC24
InChIInChI=1S/C26H19N7O4/c27-11-25-10-26-18(25)7-24(26,8-19(25)26)12-29-22(35)16-6-15(31-20-3-4-30-33(16)20)21(34)28-9-13-1-2-17-14(5-13)32-23(36)37-17/h1-7,19H,8-10,12H2,(H,28,34)(H,29,35)(H,32,36)
InChIKeyXOEMAURDFDJUDK-UHFFFAOYSA-N
XLogP1.68
TPSA158.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462591
7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587901
7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462547
5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91321596
7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462597
7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70310769
7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460978
3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 71172873
7-N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588074
7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70845653
7-N-[(4-carbamoylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70309769
3-fluoro-7-N-[(3-fluoro-4-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91395540

Frequently Asked Questions

What is the IUPAC name of 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 71178354) is 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is N#CC12CC34C1=CC3(CNC(=O)c1cc(C(=O)NCc3ccc5oc(=O)[nH]c5c3)nc3ccnn13)CC24.
What is the InChIKey of 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is XOEMAURDFDJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O4/c27-11-25-10-26-18(25)7-24(26,8-19(25)26)12-29-22(35)16-6-15(31-20-3-4-30-33(16)20)21(34)28-9-13-1-2-17-14(5-13)32-23(36)37-17/h1-7,19H,8-10,12H2,(H,28,34)(H,29,35)(H,32,36).
What are the key properties of 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 493.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(7-cyano-4-tetracyclo[4.2.0.01,4.02,7]oct-2-enyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 71178354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).