9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide

C23H20F3N3O3 — CID 59492486

IUPAC9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESO=C(NCCCCO)c1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)22(32)18-6-2-1-5-16(18)20-17(15-11-27-13-28-12-15)9-14(10-19(20)22)21(31)29-7-3-4-8-30/h1-2,5-6,9-13,30,32H,3-4,7-8H2,(H,29,31)
InChIKeyAOWZXKOMZPQTSB-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.42
Rot. Bonds6

About 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide

9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide (PubChem CID 59492486) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide
PubChem CID59492486
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESO=C(NCCCCO)c1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)22(32)18-6-2-1-5-16(18)20-17(15-11-27-13-28-12-15)9-14(10-19(20)22)21(31)29-7-3-4-8-30/h1-2,5-6,9-13,30,32H,3-4,7-8H2,(H,29,31)
InChIKeyAOWZXKOMZPQTSB-UHFFFAOYSA-N
XLogP3.42
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-pyrimidin-5-ylfluorene-2-carboxamide
CID 143972598
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493108
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493229
9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide
CID 143972600
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 162559147
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 59492901
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 171491118
N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492745
2-ethyl-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 59492758

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide?
The IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide (CID 59492486) is 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide?
The canonical SMILES for 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide is O=C(NCCCCO)c1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide?
The InChIKey is AOWZXKOMZPQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)22(32)18-6-2-1-5-16(18)20-17(15-11-27-13-28-12-15)9-14(10-19(20)22)21(31)29-7-3-4-8-30/h1-2,5-6,9-13,30,32H,3-4,7-8H2,(H,29,31).
What are the key properties of 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide?
9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(4-hydroxybutyl)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluorene-2-carboxamide is sourced from PubChem (CID 59492486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).