5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine

C17H12FN5O — CID 134326107

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccncc3)c2n1
InChIInChI=1S/C17H12FN5O/c1-24-13-4-2-3-11(18)14(13)17-20-9-12-16(21-17)15(23-22-12)10-5-7-19-8-6-10/h2-9H,1H3,(H,22,23)
InChIKeyKJCJVZULZDJGCL-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.23
Rot. Bonds3

About 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine

5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326107) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326107
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccncc3)c2n1
InChIInChI=1S/C17H12FN5O/c1-24-13-4-2-3-11(18)14(13)17-20-9-12-16(21-17)15(23-22-12)10-5-7-19-8-6-10/h2-9H,1H3,(H,22,23)
InChIKeyKJCJVZULZDJGCL-UHFFFAOYSA-N
XLogP3.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine 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

Migoprotafib
CID 139512018
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
Sdccggsk-0000007.P001
CID 9604943
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine (CID 134326107) is 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccncc3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is KJCJVZULZDJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c1-24-13-4-2-3-11(18)14(13)17-20-9-12-16(21-17)15(23-22-12)10-5-7-19-8-6-10/h2-9H,1H3,(H,22,23).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine?
5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 321.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).