6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine

C24H21FN8O — CID 171517400

IUPAC6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NCCn4ccnc4)n3)c2)n1
InChIInChI=1S/C24H21FN8O/c1-34-20-5-2-4-18(25)23(20)24-28-9-8-19(30-24)17-14-29-33(15-17)22-7-3-6-21(31-22)27-11-13-32-12-10-26-16-32/h2-10,12,14-16H,11,13H2,1H3,(H,27,31)
InChIKeyAGBNNSWPZAZJRX-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.85
Rot. Bonds8

About 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine

6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine (PubChem CID 171517400) has the molecular formula C24H21FN8O and a molecular weight of 456.49 g/mol. Its IUPAC name is 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine
PubChem CID171517400
Molecular FormulaC24H21FN8O
Molecular Weight456.49 g/mol
Exact Mass456.18
IUPAC Name6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NCCn4ccnc4)n3)c2)n1
InChIInChI=1S/C24H21FN8O/c1-34-20-5-2-4-18(25)23(20)24-28-9-8-19(30-24)17-14-29-33(15-17)22-7-3-6-21(31-22)27-11-13-32-12-10-26-16-32/h2-10,12,14-16H,11,13H2,1H3,(H,27,31)
InChIKeyAGBNNSWPZAZJRX-UHFFFAOYSA-N
XLogP3.85
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine 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

Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Ksq-4279
CID 150782011
Methyl substituted pyrazole, 27
CID 23648674
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
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
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 57402937
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402938

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine?
The IUPAC name of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine (CID 171517400) is 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine is COc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NCCn4ccnc4)n3)c2)n1.
What is the InChIKey of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine?
The InChIKey is AGBNNSWPZAZJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O/c1-34-20-5-2-4-18(25)23(20)24-28-9-8-19(30-24)17-14-29-33(15-17)22-7-3-6-21(31-22)27-11-13-32-12-10-26-16-32/h2-10,12,14-16H,11,13H2,1H3,(H,27,31).
What are the key properties of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine?
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine has a molecular weight of 456.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-imidazol-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 171517400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).