ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C21H22FN5O4 — CID 143680119

IUPACethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC.CCC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C19H16FN5O4.C2H6/c1-2-15(26)14-6-13(24-18-11(20)8-22-25(14)18)19(28)21-7-10-3-4-16-12(5-10)23-17(27)9-29-16;1-2/h3-6,8H,2,7,9H2,1H3,(H,21,28)(H,23,27);1-2H3
InChIKeyUJVRSWAKYYJMEY-UHFFFAOYSA-N
MW427.44 g/mol
LogP2.75
Rot. Bonds5

About ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide

ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 143680119) has the molecular formula C21H22FN5O4 and a molecular weight of 427.44 g/mol. Its IUPAC name is ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Nameethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID143680119
Molecular FormulaC21H22FN5O4
Molecular Weight427.44 g/mol
Exact Mass427.17
IUPAC Nameethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC.CCC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C19H16FN5O4.C2H6/c1-2-15(26)14-6-13(24-18-11(20)8-22-25(14)18)19(28)21-7-10-3-4-16-12(5-10)23-17(27)9-29-16;1-2/h3-6,8H,2,7,9H2,1H3,(H,21,28)(H,23,27);1-2H3
InChIKeyUJVRSWAKYYJMEY-UHFFFAOYSA-N
XLogP2.75
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462964
3-fluoro-7-N-(2-methyl-3-oxobutan-2-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461807
3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462799
7-N-(azetidin-3-yl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460981
3-fluoro-7-N-[(4-methylsulfonylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460658
(2R)-2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]propanoic acid
CID 59462568
3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 59764253
7-N-[(4-carbamoylphenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462398
tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetate
CID 59460650
3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460727
3-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]benzoic acid
CID 59462172
7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70947506

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 143680119) is ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC.CCC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.
What is the InChIKey of ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is UJVRSWAKYYJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O4.C2H6/c1-2-15(26)14-6-13(24-18-11(20)8-22-25(14)18)19(28)21-7-10-3-4-16-12(5-10)23-17(27)9-29-16;1-2/h3-6,8H,2,7,9H2,1H3,(H,21,28)(H,23,27);1-2H3.
What are the key properties of ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 143680119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).