2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine

C21H17F4N5O — CID 155543613

IUPAC2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
SMILESCn1c(NCc2ccccc2F)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C21H17F4N5O/c1-30-18-10-19(28-14-6-4-7-15(9-14)31-21(23,24)25)26-12-17(18)29-20(30)27-11-13-5-2-3-8-16(13)22/h2-10,12H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyYAWMFELTYWKVSB-UHFFFAOYSA-N
MW431.39 g/mol
LogP5.36
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine

2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155543613) has the molecular formula C21H17F4N5O and a molecular weight of 431.39 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
PubChem CID155543613
Molecular FormulaC21H17F4N5O
Molecular Weight431.39 g/mol
Exact Mass431.14
IUPAC Name2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
SMILESCn1c(NCc2ccccc2F)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C21H17F4N5O/c1-30-18-10-19(28-14-6-4-7-15(9-14)31-21(23,24)25)26-12-17(18)29-20(30)27-11-13-5-2-3-8-16(13)22/h2-10,12H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyYAWMFELTYWKVSB-UHFFFAOYSA-N
XLogP5.36
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.39
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine
CID 71448863
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 162637331
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798
2-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112894622
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643106
5-[(2-fluorophenyl)methylamino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109281495

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine (CID 155543613) is 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine is Cn1c(NCc2ccccc2F)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is YAWMFELTYWKVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O/c1-30-18-10-19(28-14-6-4-7-15(9-14)31-21(23,24)25)26-12-17(18)29-20(30)27-11-13-5-2-3-8-16(13)22/h2-10,12H,11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 431.39 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 155543613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).