N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide

C21H18FN5O — CID 147153289

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1cc2cnn(-c3ccncc3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O/c1-14(15-2-4-17(22)5-3-15)26-21(28)11-18-10-16-12-25-27(20(16)13-24-18)19-6-8-23-9-7-19/h2-10,12-14H,11H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyBUKBCONOZSBIRT-CQSZACIVSA-N
MW375.41 g/mol
LogP3.37
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide (PubChem CID 147153289) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
PubChem CID147153289
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1cc2cnn(-c3ccncc3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O/c1-14(15-2-4-17(22)5-3-15)26-21(28)11-18-10-16-12-25-27(20(16)13-24-18)19-6-8-23-9-7-19/h2-10,12-14H,11H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyBUKBCONOZSBIRT-CQSZACIVSA-N
XLogP3.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)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

2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403140
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 153070021
N-(pyridin-3-ylmethyl)-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
CID 160831359
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylimino-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 157258389
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 157061257
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide
CID 91418913
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 148644692
6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid
CID 171474840
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide (CID 147153289) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide is C[C@@H](NC(=O)Cc1cc2cnn(-c3ccncc3)c2cn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide?
The InChIKey is BUKBCONOZSBIRT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-14(15-2-4-17(22)5-3-15)26-21(28)11-18-10-16-12-25-27(20(16)13-24-18)19-6-8-23-9-7-19/h2-10,12-14H,11H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 147153289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).