5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

C18H14F4N6O2 — CID 175383646

About 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 175383646) has the molecular formula C18H14F4N6O2 and a molecular weight of 422.34 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 175383646
• Molecular Formula: C18H14F4N6O2
• Molecular Weight: 422.34 g/mol
• Exact Mass: 422.11
• IUPAC Name: 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
• SMILES: COc1ncc(F)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C(F)(F)F)CC3)n1
• InChI: InChI=1S/C18H14F4N6O2/c1-30-17-10(7-9(19)8-23-17)16(29)25-13-4-2-3-11(24-13)15-27-26-14-6-5-12(28(14)15)18(20,21)22/h2-4,7-8,12H,5-6H2,1H3,(H,24,25,29)/t12-/m1/s1
• InChIKey: MFCBFSVQWNXSEK-GFCCVEGCSA-N
• XLogP: 3.18
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.34
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 175383646) is 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is COc1ncc(F)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C(F)(F)F)CC3)n1.

What is the InChIKey of 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is MFCBFSVQWNXSEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14F4N6O2/c1-30-17-10(7-9(19)8-23-17)16(29)25-13-4-2-3-11(24-13)15-27-26-14-6-5-12(28(14)15)18(20,21)22/h2-4,7-8,12H,5-6H2,1H3,(H,24,25,29)/t12-/m1/s1.

What are the key properties of 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 422.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 175383646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).