N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide

C19H12F3N5O2 — CID 53389406

IUPACN-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2ncn(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)29-14-5-1-4-13(9-14)27-11-24-15-6-7-16(26-17(15)27)18(28)25-12-3-2-8-23-10-12/h1-11H,(H,25,28)
InChIKeyJZNOBQNYNDFEQV-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.97
Rot. Bonds4

About N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide

N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 53389406) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID53389406
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC NameN-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2ncn(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)29-14-5-1-4-13(9-14)27-11-24-15-6-7-16(26-17(15)27)18(28)25-12-3-2-8-23-10-12/h1-11H,(H,25,28)
InChIKeyJZNOBQNYNDFEQV-UHFFFAOYSA-N
XLogP3.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 53389406) is N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide is O=C(Nc1cccnc1)c1ccc2ncn(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is JZNOBQNYNDFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(21,22)29-14-5-1-4-13(9-14)27-11-24-15-6-7-16(26-17(15)27)18(28)25-12-3-2-8-23-10-12/h1-11H,(H,25,28).
What are the key properties of N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide?
N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 399.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 53389406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).