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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-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
SMILESCOc1ncc(F)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C(F)(F)F)CC3)n1
InChIInChI=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
InChIKeyMFCBFSVQWNXSEK-GFCCVEGCSA-N
MW422.34 g/mol
LogP3.18
Rot. Bonds4

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 Name5-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 CID175383646
Molecular FormulaC18H14F4N6O2
Molecular Weight422.34 g/mol
Exact Mass422.11
IUPAC Name5-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
SMILESCOc1ncc(F)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C(F)(F)F)CC3)n1
InChIInChI=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
InChIKeyMFCBFSVQWNXSEK-GFCCVEGCSA-N
XLogP3.18
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).

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