N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide

C23H22FN5O2 — CID 40908839

IUPACN-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)c1
InChIInChI=1S/C23H22FN5O2/c1-16-4-2-5-17(10-16)12-21(30)25-8-9-29-22-20(13-27-29)23(31)28(15-26-22)14-18-6-3-7-19(24)11-18/h2-7,10-11,13,15H,8-9,12,14H2,1H3,(H,25,30)
InChIKeyMIMAMKDJCIZWQM-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 40908839) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID40908839
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)c1
InChIInChI=1S/C23H22FN5O2/c1-16-4-2-5-17(10-16)12-21(30)25-8-9-29-22-20(13-27-29)23(31)28(15-26-22)14-18-6-3-7-19(24)11-18/h2-7,10-11,13,15H,8-9,12,14H2,1H3,(H,25,30)
InChIKeyMIMAMKDJCIZWQM-UHFFFAOYSA-N
XLogP2.45
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide 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

CID 135869427
CID 135869427
CID 25052767
CID 25052767
CID 25118571
CID 25118571
CID 135869416
CID 135869416
CID 135869420
CID 135869420
CID 135869428
CID 135869428
CID 46197240
CID 46197240
CID 25119643
CID 25119643
CID 25119645
CID 25119645
CID 132258853
CID 132258853
CID 132260168
CID 132260168
CID 135453443
CID 135453443

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide (CID 40908839) is N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)c1.
What is the InChIKey of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is MIMAMKDJCIZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-16-4-2-5-17(10-16)12-21(30)25-8-9-29-22-20(13-27-29)23(31)28(15-26-22)14-18-6-3-7-19(24)11-18/h2-7,10-11,13,15H,8-9,12,14H2,1H3,(H,25,30).
What are the key properties of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 419.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 40908839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).