[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone

C24H22F3N3O4 — CID 59492475

IUPAC[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CC(OCCO)C3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N3O4/c1-29-11-15(10-28-29)18-8-14(22(32)30-12-16(13-30)34-7-6-31)9-20-21(18)17-4-2-3-5-19(17)23(20,33)24(25,26)27/h2-5,8-11,16,31,33H,6-7,12-13H2,1H3
InChIKeyXAWSEZPJCYKBTM-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.70
Rot. Bonds5

About [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone

[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492475) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492475
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CC(OCCO)C3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N3O4/c1-29-11-15(10-28-29)18-8-14(22(32)30-12-16(13-30)34-7-6-31)9-20-21(18)17-4-2-3-5-19(17)23(20,33)24(25,26)27/h2-5,8-11,16,31,33H,6-7,12-13H2,1H3
InChIKeyXAWSEZPJCYKBTM-UHFFFAOYSA-N
XLogP2.70
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492475) is [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone is Cn1cc(-c2cc(C(=O)N3CC(OCCO)C3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is XAWSEZPJCYKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-29-11-15(10-28-29)18-8-14(22(32)30-12-16(13-30)34-7-6-31)9-20-21(18)17-4-2-3-5-19(17)23(20,33)24(25,26)27/h2-5,8-11,16,31,33H,6-7,12-13H2,1H3.
What are the key properties of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone?
[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 473.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).