N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C20H12Cl2F3N5O — CID 11554512

IUPACN-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C20H12Cl2F3N5O/c1-9-12(3-5-16(27-9)20(23,24)25)19(31)28-11-2-4-14(22)13(7-11)17-29-15-6-10(21)8-26-18(15)30-17/h2-8H,1H3,(H,28,31)(H,26,29,30)
InChIKeyGTAGSTIFXFETRC-UHFFFAOYSA-N
MW466.25 g/mol
LogP5.91
Rot. Bonds3

About N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11554512) has the molecular formula C20H12Cl2F3N5O and a molecular weight of 466.25 g/mol. Its IUPAC name is N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11554512
Molecular FormulaC20H12Cl2F3N5O
Molecular Weight466.25 g/mol
Exact Mass465.04
IUPAC NameN-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C20H12Cl2F3N5O/c1-9-12(3-5-16(27-9)20(23,24)25)19(31)28-11-2-4-14(22)13(7-11)17-29-15-6-10(21)8-26-18(15)30-17/h2-8H,1H3,(H,28,31)(H,26,29,30)
InChIKeyGTAGSTIFXFETRC-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11554512) is N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GTAGSTIFXFETRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N5O/c1-9-12(3-5-16(27-9)20(23,24)25)19(31)28-11-2-4-14(22)13(7-11)17-29-15-6-10(21)8-26-18(15)30-17/h2-8H,1H3,(H,28,31)(H,26,29,30).
What are the key properties of N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]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-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11554512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).