5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

C29H26F6N4O6 — CID 59200913

IUPAC5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3cc4c(cn3)OCCO4)C2=O)c1
InChIInChI=1S/C29H26F6N4O6/c1-3-4-16-11-17(27(42,28(30,31)32)29(33,34)35)5-6-20(16)45-19-7-8-36-18(12-19)15-39-24(40)26(2,38-25(39)41)23-13-21-22(14-37-23)44-10-9-43-21/h5-8,11-14,42H,3-4,9-10,15H2,1-2H3,(H,38,41)
InChIKeyZKIDWYMWXNRMOH-UHFFFAOYSA-N
MW640.54 g/mol
LogP5.27
Rot. Bonds8

About 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59200913) has the molecular formula C29H26F6N4O6 and a molecular weight of 640.54 g/mol. Its IUPAC name is 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID59200913
Molecular FormulaC29H26F6N4O6
Molecular Weight640.54 g/mol
Exact Mass640.18
IUPAC Name5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3cc4c(cn3)OCCO4)C2=O)c1
InChIInChI=1S/C29H26F6N4O6/c1-3-4-16-11-17(27(42,28(30,31)32)29(33,34)35)5-6-20(16)45-19-7-8-36-18(12-19)15-39-24(40)26(2,38-25(39)41)23-13-21-22(14-37-23)44-10-9-43-21/h5-8,11-14,42H,3-4,9-10,15H2,1-2H3,(H,38,41)
InChIKeyZKIDWYMWXNRMOH-UHFFFAOYSA-N
XLogP5.27
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.54
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (CID 59200913) is 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3cc4c(cn3)OCCO4)C2=O)c1.
What is the InChIKey of 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZKIDWYMWXNRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O6/c1-3-4-16-11-17(27(42,28(30,31)32)29(33,34)35)5-6-20(16)45-19-7-8-36-18(12-19)15-39-24(40)26(2,38-25(39)41)23-13-21-22(14-37-23)44-10-9-43-21/h5-8,11-14,42H,3-4,9-10,15H2,1-2H3,(H,38,41).
What are the key properties of 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 640.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59200913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).