5-(2,3-dihydrofuro[2,3-b]pyridin-5-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

C29H26F6N4O5 — CID 59200895

IUPAC5-(2,3-dihydrofuro[2,3-b]pyridin-5-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)(c3cnc4c(c3)CCO4)C2=O)c1
InChIInChI=1S/C29H26F6N4O5/c1-3-4-16-11-18(27(42,28(30,31)32)29(33,34)35)5-6-22(16)44-21-7-9-36-20(13-21)15-39-24(40)26(2,38-25(39)41)19-12-17-8-10-43-23(17)37-14-19/h5-7,9,11-14,42H,3-4,8,10,15H2,1-2H3,(H,38,41)
InChIKeyCVVIECWPXSNXPC-UHFFFAOYSA-N
MW624.54 g/mol
LogP5.44
Rot. Bonds8

About 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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 59200895) has the molecular formula C29H26F6N4O5 and a molecular weight of 624.54 g/mol. Its IUPAC name is 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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 CID59200895
Molecular FormulaC29H26F6N4O5
Molecular Weight624.54 g/mol
Exact Mass624.18
IUPAC Name5-(2,3-dihydrofuro[2,3-b]pyridin-5-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)(c3cnc4c(c3)CCO4)C2=O)c1
InChIInChI=1S/C29H26F6N4O5/c1-3-4-16-11-18(27(42,28(30,31)32)29(33,34)35)5-6-22(16)44-21-7-9-36-20(13-21)15-39-24(40)26(2,38-25(39)41)19-12-17-8-10-43-23(17)37-14-19/h5-7,9,11-14,42H,3-4,8,10,15H2,1-2H3,(H,38,41)
InChIKeyCVVIECWPXSNXPC-UHFFFAOYSA-N
XLogP5.44
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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 59200895) is 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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)(c3cnc4c(c3)CCO4)C2=O)c1.
What is the InChIKey of 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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 CVVIECWPXSNXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O5/c1-3-4-16-11-18(27(42,28(30,31)32)29(33,34)35)5-6-22(16)44-21-7-9-36-20(13-21)15-39-24(40)26(2,38-25(39)41)19-12-17-8-10-43-23(17)37-14-19/h5-7,9,11-14,42H,3-4,8,10,15H2,1-2H3,(H,38,41).
What are the key properties of 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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-dihydrofuro[2,3-b]pyridin-5-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 624.54 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrofuro[2,3-b]pyridin-5-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 59200895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).