4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine

C20H16ClFN4O — CID 118871092

IUPAC4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCCc1cc(-c2ncc(-c3ccc(F)c(Cl)c3)c3c(N)c(N)oc23)ccn1
InChIInChI=1S/C20H16ClFN4O/c1-2-12-7-11(5-6-25-12)18-19-16(17(23)20(24)27-19)13(9-26-18)10-3-4-15(22)14(21)8-10/h3-9H,2,23-24H2,1H3
InChIKeyASMQXTXXYARIIE-UHFFFAOYSA-N
MW382.83 g/mol
LogP5.08
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine

4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118871092) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID118871092
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCCc1cc(-c2ncc(-c3ccc(F)c(Cl)c3)c3c(N)c(N)oc23)ccn1
InChIInChI=1S/C20H16ClFN4O/c1-2-12-7-11(5-6-25-12)18-19-16(17(23)20(24)27-19)13(9-26-18)10-3-4-15(22)14(21)8-10/h3-9H,2,23-24H2,1H3
InChIKeyASMQXTXXYARIIE-UHFFFAOYSA-N
XLogP5.08
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.83
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine (CID 118871092) is 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine is CCc1cc(-c2ncc(-c3ccc(F)c(Cl)c3)c3c(N)c(N)oc23)ccn1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is ASMQXTXXYARIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-2-12-7-11(5-6-25-12)18-19-16(17(23)20(24)27-19)13(9-26-18)10-3-4-15(22)14(21)8-10/h3-9H,2,23-24H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 382.83 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-7-(2-ethyl-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118871092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).