5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C24H18F3N7O4 — CID 59460921

IUPAC5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)n4nccc4n3)cc2N1
InChIInChI=1S/C24H18F3N7O4/c25-24(26,27)19-4-2-14(10-28-19)11-30-23(37)17-8-16(32-20-5-6-31-34(17)20)22(36)29-9-13-1-3-18-15(7-13)33-21(35)12-38-18/h1-8,10H,9,11-12H2,(H,29,36)(H,30,37)(H,33,35)
InChIKeyCOQSDGIMJWZFPE-UHFFFAOYSA-N
MW525.45 g/mol
LogP2.33
Rot. Bonds6

About 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59460921) has the molecular formula C24H18F3N7O4 and a molecular weight of 525.45 g/mol. Its IUPAC name is 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59460921
Molecular FormulaC24H18F3N7O4
Molecular Weight525.45 g/mol
Exact Mass525.14
IUPAC Name5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)n4nccc4n3)cc2N1
InChIInChI=1S/C24H18F3N7O4/c25-24(26,27)19-4-2-14(10-28-19)11-30-23(37)17-8-16(32-20-5-6-31-34(17)20)22(36)29-9-13-1-3-18-15(7-13)33-21(35)12-38-18/h1-8,10H,9,11-12H2,(H,29,36)(H,30,37)(H,33,35)
InChIKeyCOQSDGIMJWZFPE-UHFFFAOYSA-N
XLogP2.33
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]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 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59460921) is 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)n4nccc4n3)cc2N1.
What is the InChIKey of 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is COQSDGIMJWZFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O4/c25-24(26,27)19-4-2-14(10-28-19)11-30-23(37)17-8-16(32-20-5-6-31-34(17)20)22(36)29-9-13-1-3-18-15(7-13)33-21(35)12-38-18/h1-8,10H,9,11-12H2,(H,29,36)(H,30,37)(H,33,35).
What are the key properties of 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 525.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59460921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).