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

C24H21FN8O — CID 171517369

IUPAC6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NCc4nccn4C)n3)c2)n1
InChIInChI=1S/C24H21FN8O/c1-32-12-11-26-22(32)14-28-20-7-4-8-21(31-20)33-15-16(13-29-33)18-9-10-27-24(30-18)23-17(25)5-3-6-19(23)34-2/h3-13,15H,14H2,1-2H3,(H,28,31)
InChIKeyUDZBUXJEQQFFBL-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.88
Rot. Bonds7

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

6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 171517369) 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-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID171517369
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-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NCc4nccn4C)n3)c2)n1
InChIInChI=1S/C24H21FN8O/c1-32-12-11-26-22(32)14-28-20-7-4-8-21(31-20)33-15-16(13-29-33)18-9-10-27-24(30-18)23-17(25)5-3-6-19(23)34-2/h3-13,15H,14H2,1-2H3,(H,28,31)
InChIKeyUDZBUXJEQQFFBL-UHFFFAOYSA-N
XLogP3.88
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 171517369) is 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is COc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NCc4nccn4C)n3)c2)n1.
What is the InChIKey of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is UDZBUXJEQQFFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O/c1-32-12-11-26-22(32)14-28-20-7-4-8-21(31-20)33-15-16(13-29-33)18-9-10-27-24(30-18)23-17(25)5-3-6-19(23)34-2/h3-13,15H,14H2,1-2H3,(H,28,31).
What are the key properties of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 456.49 g/mol, XLogP of 3.88, 7 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-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 171517369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).