5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C26H20N8O6 — CID 135925289

IUPAC5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5noc(=O)[nH]5)cc4)n4nccc4n3)cc21
InChIInChI=1S/C26H20N8O6/c1-33-18-10-15(4-7-20(18)39-26(33)38)13-27-23(35)17-11-19(34-21(30-17)8-9-29-34)24(36)28-12-14-2-5-16(6-3-14)22-31-25(37)40-32-22/h2-11H,12-13H2,1H3,(H,27,35)(H,28,36)(H,31,32,37)
InChIKeySSMDHDSKGJKIEV-UHFFFAOYSA-N
MW540.50 g/mol
LogP1.38
Rot. Bonds7

About 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 135925289) has the molecular formula C26H20N8O6 and a molecular weight of 540.50 g/mol. Its IUPAC name is 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID135925289
Molecular FormulaC26H20N8O6
Molecular Weight540.50 g/mol
Exact Mass540.15
IUPAC Name5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5noc(=O)[nH]5)cc4)n4nccc4n3)cc21
InChIInChI=1S/C26H20N8O6/c1-33-18-10-15(4-7-20(18)39-26(33)38)13-27-23(35)17-11-19(34-21(30-17)8-9-29-34)24(36)28-12-14-2-5-16(6-3-14)22-31-25(37)40-32-22/h2-11H,12-13H2,1H3,(H,27,35)(H,28,36)(H,31,32,37)
InChIKeySSMDHDSKGJKIEV-UHFFFAOYSA-N
XLogP1.38
TPSA182.42 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.50
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 90908407
7-N-[(2-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461521
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-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
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-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463073
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-[(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
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-propanoyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160823313
7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462999
7-N-[[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462265
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462927

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 135925289) is 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5noc(=O)[nH]5)cc4)n4nccc4n3)cc21.
What is the InChIKey of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is SSMDHDSKGJKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O6/c1-33-18-10-15(4-7-20(18)39-26(33)38)13-27-23(35)17-11-19(34-21(30-17)8-9-29-34)24(36)28-12-14-2-5-16(6-3-14)22-31-25(37)40-32-22/h2-11H,12-13H2,1H3,(H,27,35)(H,28,36)(H,31,32,37).
What are the key properties of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 540.50 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 135925289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).