6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C20H13F4N5O2 — CID 122578371

IUPAC6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F4N5O2/c1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24/h2-10H,1H3,(H,26,27)
InChIKeyBYYODZRNZYWZRC-UHFFFAOYSA-N
MW431.35 g/mol
LogP5.51
Rot. Bonds4

About 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 122578371) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID122578371
Molecular FormulaC20H13F4N5O2
Molecular Weight431.35 g/mol
Exact Mass431.10
IUPAC Name6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F4N5O2/c1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24/h2-10H,1H3,(H,26,27)
InChIKeyBYYODZRNZYWZRC-UHFFFAOYSA-N
XLogP5.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.35
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 159805438
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)pyridin-2-amine
CID 118094774
6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095116
N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 122509774
N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 162071945
4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118101404
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 118095018
2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
CID 118095092
6-N-(4-fluorophenyl)-5-N-[3-nitro-5-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 134094302
2-(trifluoromethyl)-3-[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-ol
CID 118101535
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
3-nitro-N-[4-(trifluoromethyl)phenyl]aniline
CID 142848101

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 122578371) is 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is BYYODZRNZYWZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24/h2-10H,1H3,(H,26,27).
What are the key properties of 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 431.35 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 122578371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).