3-fluoro-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

C24H18F2N6O4 — CID 59460799

IUPAC3-fluoro-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
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4F)n4ncc(F)c4n3)cc21
InChIInChI=1S/C24H18F2N6O4/c1-31-18-8-13(6-7-20(18)36-24(31)35)10-27-22(33)17-9-19(32-21(30-17)16(26)12-29-32)23(34)28-11-14-4-2-3-5-15(14)25/h2-9,12H,10-11H2,1H3,(H,27,33)(H,28,34)
InChIKeyAAJZNTPRRIRKOJ-UHFFFAOYSA-N
MW492.44 g/mol
LogP2.31
Rot. Bonds6

About 3-fluoro-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

3-fluoro-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 (PubChem CID 59460799) has the molecular formula C24H18F2N6O4 and a molecular weight of 492.44 g/mol. Its IUPAC name is 3-fluoro-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.

Molecular Properties

Compound Name3-fluoro-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
PubChem CID59460799
Molecular FormulaC24H18F2N6O4
Molecular Weight492.44 g/mol
Exact Mass492.14
IUPAC Name3-fluoro-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
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4F)n4ncc(F)c4n3)cc21
InChIInChI=1S/C24H18F2N6O4/c1-31-18-8-13(6-7-20(18)36-24(31)35)10-27-22(33)17-9-19(32-21(30-17)16(26)12-29-32)23(34)28-11-14-4-2-3-5-15(14)25/h2-9,12H,10-11H2,1H3,(H,27,33)(H,28,34)
InChIKeyAAJZNTPRRIRKOJ-UHFFFAOYSA-N
XLogP2.31
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-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?
The IUPAC name of 3-fluoro-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 59460799) is 3-fluoro-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.
What is the SMILES notation for 3-fluoro-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?
The canonical SMILES for 3-fluoro-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 is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4F)n4ncc(F)c4n3)cc21.
What is the InChIKey of 3-fluoro-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?
The InChIKey is AAJZNTPRRIRKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O4/c1-31-18-8-13(6-7-20(18)36-24(31)35)10-27-22(33)17-9-19(32-21(30-17)16(26)12-29-32)23(34)28-11-14-4-2-3-5-15(14)25/h2-9,12H,10-11H2,1H3,(H,27,33)(H,28,34).
What are the key properties of 3-fluoro-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?
3-fluoro-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 has a molecular weight of 492.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-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 is sourced from PubChem (CID 59460799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).