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

C24H18ClFN6O4 — CID 70309737

IUPAC7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)n4nccc4n3)cc21
InChIInChI=1S/C24H18ClFN6O4/c1-31-18-9-14(3-5-20(18)36-24(31)35)12-27-22(33)17-10-19(32-21(30-17)6-7-29-32)23(34)28-11-13-2-4-16(26)15(25)8-13/h2-10H,11-12H2,1H3,(H,27,33)(H,28,34)
InChIKeyGPMDMEYOROJVCS-UHFFFAOYSA-N
MW508.90 g/mol
LogP2.83
Rot. Bonds6

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

7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70309737) has the molecular formula C24H18ClFN6O4 and a molecular weight of 508.90 g/mol. Its IUPAC name is 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID70309737
Molecular FormulaC24H18ClFN6O4
Molecular Weight508.90 g/mol
Exact Mass508.11
IUPAC Name7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)n4nccc4n3)cc21
InChIInChI=1S/C24H18ClFN6O4/c1-31-18-9-14(3-5-20(18)36-24(31)35)12-27-22(33)17-10-19(32-21(30-17)6-7-29-32)23(34)28-11-13-2-4-16(26)15(25)8-13/h2-10H,11-12H2,1H3,(H,27,33)(H,28,34)
InChIKeyGPMDMEYOROJVCS-UHFFFAOYSA-N
XLogP2.83
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.90
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70309737) is 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)n4nccc4n3)cc21.
What is the InChIKey of 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is GPMDMEYOROJVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O4/c1-31-18-9-14(3-5-20(18)36-24(31)35)12-27-22(33)17-10-19(32-21(30-17)6-7-29-32)23(34)28-11-13-2-4-16(26)15(25)8-13/h2-10H,11-12H2,1H3,(H,27,33)(H,28,34).
What are the key properties of 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 508.90 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(3-chloro-4-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 70309737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).