N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide

C21H18FN5O4 — CID 86890295

IUPACN-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C21H18FN5O4/c1-11-15(21(30)27-18(24-11)5-7-23-27)10-19(28)25-13-3-4-16(22)17(9-13)26-20(29)14-6-8-31-12(14)2/h3-9,23H,10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWVIOLDFWIPHPGC-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.81
Rot. Bonds5

About N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide

N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 86890295) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID86890295
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC NameN-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C21H18FN5O4/c1-11-15(21(30)27-18(24-11)5-7-23-27)10-19(28)25-13-3-4-16(22)17(9-13)26-20(29)14-6-8-31-12(14)2/h3-9,23H,10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWVIOLDFWIPHPGC-UHFFFAOYSA-N
XLogP2.81
TPSA121.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-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

N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 167969425
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 166190944
N-[2-fluoro-5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 46469741
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
CID 51088761
3-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 119169844
(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120695761
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 86890163
N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55701949

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide (CID 86890295) is N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1.
What is the InChIKey of N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is WVIOLDFWIPHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-11-15(21(30)27-18(24-11)5-7-23-27)10-19(28)25-13-3-4-16(22)17(9-13)26-20(29)14-6-8-31-12(14)2/h3-9,23H,10H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 86890295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).