N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C20H12Cl2F3N5O — CID 11576342

IUPACN-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1
InChIInChI=1S/C20H12Cl2F3N5O/c1-9-11(3-5-16(27-9)20(23,24)25)19(31)28-10-2-4-13(21)12(6-10)18-29-14-7-17(22)26-8-15(14)30-18/h2-8H,1H3,(H,28,31)(H,29,30)
InChIKeyMEMPUJPHKSQYIW-UHFFFAOYSA-N
MW466.25 g/mol
LogP5.91
Rot. Bonds3

About N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11576342) has the molecular formula C20H12Cl2F3N5O and a molecular weight of 466.25 g/mol. Its IUPAC name is N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11576342
Molecular FormulaC20H12Cl2F3N5O
Molecular Weight466.25 g/mol
Exact Mass465.04
IUPAC NameN-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1
InChIInChI=1S/C20H12Cl2F3N5O/c1-9-11(3-5-16(27-9)20(23,24)25)19(31)28-10-2-4-13(21)12(6-10)18-29-14-7-17(22)26-8-15(14)30-18/h2-8H,1H3,(H,28,31)(H,29,30)
InChIKeyMEMPUJPHKSQYIW-UHFFFAOYSA-N
XLogP5.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.25
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11576342) is N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MEMPUJPHKSQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N5O/c1-9-11(3-5-16(27-9)20(23,24)25)19(31)28-10-2-4-13(21)12(6-10)18-29-14-7-17(22)26-8-15(14)30-18/h2-8H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 466.25 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11576342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).