1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one

C22H16Cl2N2O2 — CID 46884054

IUPAC1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
SMILESCCC(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C22H16Cl2N2O2/c1-2-18(27)21-19(25)16-11-15(12-7-9-13(23)10-8-12)20(26-22(16)28-21)14-5-3-4-6-17(14)24/h3-11H,2,25H2,1H3
InChIKeyGXIDPXCTASLXJO-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.64
Rot. Bonds4

About 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one

1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one (PubChem CID 46884054) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
PubChem CID46884054
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
SMILESCCC(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C22H16Cl2N2O2/c1-2-18(27)21-19(25)16-11-15(12-7-9-13(23)10-8-12)20(26-22(16)28-21)14-5-3-4-6-17(14)24/h3-11H,2,25H2,1H3
InChIKeyGXIDPXCTASLXJO-UHFFFAOYSA-N
XLogP6.64
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 705157
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1075883
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-propyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1894276
3-(6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-pivaloylfuro[2,3-b]pyridin-3-yl)-1,1-dimethylurea
CID 10029316
N-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloylfuro[2,3-b]pyridin-3-yl)acetamide
CID 10367921
N-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-isobutyrylfuro[2,3-b]pyridin-3-yl)-2-hydroxyacetamide
CID 21984889
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-bromophenyl)methanone
CID 951305
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-chlorophenyl)-
CID 1900637
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 661572
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 661617
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 778172
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(p-tolyl)methanone
CID 951154

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one (CID 46884054) is 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one is CCC(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N.
What is the InChIKey of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
The InChIKey is GXIDPXCTASLXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-2-18(27)21-19(25)16-11-15(12-7-9-13(23)10-8-12)20(26-22(16)28-21)14-5-3-4-6-17(14)24/h3-11H,2,25H2,1H3.
What are the key properties of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one has a molecular weight of 411.29 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one is sourced from PubChem (CID 46884054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).