1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

C26H23Cl3N2O2 — CID 10391329

IUPAC1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCCNc1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H23Cl3N2O2/c1-5-30-22-19-13-18(14-6-8-15(27)9-7-14)21(17-11-10-16(28)12-20(17)29)31-25(19)33-23(22)24(32)26(2,3)4/h6-13,30H,5H2,1-4H3
InChIKeyCVIHXTCAMAEXIG-UHFFFAOYSA-N
MW501.84 g/mol
LogP8.78
Rot. Bonds5

About 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 10391329) has the molecular formula C26H23Cl3N2O2 and a molecular weight of 501.84 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID10391329
Molecular FormulaC26H23Cl3N2O2
Molecular Weight501.84 g/mol
Exact Mass500.08
IUPAC Name1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCCNc1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H23Cl3N2O2/c1-5-30-22-19-13-18(14-6-8-15(27)9-7-14)21(17-11-10-16(28)12-20(17)29)31-25(19)33-23(22)24(32)26(2,3)4/h6-13,30H,5H2,1-4H3
InChIKeyCVIHXTCAMAEXIG-UHFFFAOYSA-N
XLogP8.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.84
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide
CID 10099693
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
CID 10254284
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide
CID 71160789
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
CID 10433670
N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 59830454
N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide
CID 74423961
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445
N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10028229
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10482067
[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl] N-tert-butylcarbamate
CID 10370025
N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide
CID 69371747
[2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate
CID 68628319

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 10391329) is 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is CCNc1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CVIHXTCAMAEXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N2O2/c1-5-30-22-19-13-18(14-6-8-15(27)9-7-14)21(17-11-10-16(28)12-20(17)29)31-25(19)33-23(22)24(32)26(2,3)4/h6-13,30H,5H2,1-4H3.
What are the key properties of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 501.84 g/mol, XLogP of 8.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 10391329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).