5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

C17H14BrF3N6O2 — CID 146743743

IUPAC5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncc(Br)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C17H14BrF3N6O2/c1-9(17(19,20)21)27-8-23-26-14(27)12-4-3-5-13(24-12)25-15(28)11-6-10(18)7-22-16(11)29-2/h3-9H,1-2H3,(H,24,25,28)/t9-/m1/s1
InChIKeyRLPARYCIQUSSNH-SECBINFHSA-N
MW471.24 g/mol
LogP3.88
Rot. Bonds5

About 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 146743743) has the molecular formula C17H14BrF3N6O2 and a molecular weight of 471.24 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID146743743
Molecular FormulaC17H14BrF3N6O2
Molecular Weight471.24 g/mol
Exact Mass470.03
IUPAC Name5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncc(Br)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C17H14BrF3N6O2/c1-9(17(19,20)21)27-8-23-26-14(27)12-4-3-5-13(24-12)25-15(28)11-6-10(18)7-22-16(11)29-2/h3-9H,1-2H3,(H,24,25,28)/t9-/m1/s1
InChIKeyRLPARYCIQUSSNH-SECBINFHSA-N
XLogP3.88
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 146743743) is 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is COc1ncc(Br)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1.
What is the InChIKey of 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is RLPARYCIQUSSNH-SECBINFHSA-N. The full InChI is InChI=1S/C17H14BrF3N6O2/c1-9(17(19,20)21)27-8-23-26-14(27)12-4-3-5-13(24-12)25-15(28)11-6-10(18)7-22-16(11)29-2/h3-9H,1-2H3,(H,24,25,28)/t9-/m1/s1.
What are the key properties of 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 471.24 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 146743743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).