9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide

C26H18F3N3O — CID 134151966

IUPAC9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2F)ccn1
InChIInChI=1S/C26H18F3N3O/c1-15-10-17(8-9-30-15)24-23(27)11-16(13-31-24)14-32-25(33)18-6-7-20-19-4-2-3-5-21(19)26(28,29)22(20)12-18/h2-13H,14H2,1H3,(H,32,33)
InChIKeyHNYMGFCITDETPT-UHFFFAOYSA-N
MW445.44 g/mol
LogP5.64
Rot. Bonds4

About 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide

9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide (PubChem CID 134151966) has the molecular formula C26H18F3N3O and a molecular weight of 445.44 g/mol. Its IUPAC name is 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide.

Molecular Properties

Compound Name9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide
PubChem CID134151966
Molecular FormulaC26H18F3N3O
Molecular Weight445.44 g/mol
Exact Mass445.14
IUPAC Name9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2F)ccn1
InChIInChI=1S/C26H18F3N3O/c1-15-10-17(8-9-30-15)24-23(27)11-16(13-31-24)14-32-25(33)18-6-7-20-19-4-2-3-5-21(19)26(28,29)22(20)12-18/h2-13H,14H2,1H3,(H,32,33)
InChIKeyHNYMGFCITDETPT-UHFFFAOYSA-N
XLogP5.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide?
The IUPAC name of 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide (CID 134151966) is 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide.
What is the SMILES notation for 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide?
The canonical SMILES for 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2F)ccn1.
What is the InChIKey of 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide?
The InChIKey is HNYMGFCITDETPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O/c1-15-10-17(8-9-30-15)24-23(27)11-16(13-31-24)14-32-25(33)18-6-7-20-19-4-2-3-5-21(19)26(28,29)22(20)12-18/h2-13H,14H2,1H3,(H,32,33).
What are the key properties of 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide?
9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]fluorene-2-carboxamide is sourced from PubChem (CID 134151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).