3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine

C18H12F2N4O — CID 86280679

IUPAC3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccncc3)nccc2c1Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H12F2N4O/c19-13-2-1-11(9-14(13)20)24-16-12-5-8-23-15(17(12)25-18(16)21)10-3-6-22-7-4-10/h1-9,24H,21H2
InChIKeyYZPRNUIZJURTKK-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.49
Rot. Bonds3

About 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine

3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine (PubChem CID 86280679) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine
PubChem CID86280679
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccncc3)nccc2c1Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H12F2N4O/c19-13-2-1-11(9-14(13)20)24-16-12-5-8-23-15(17(12)25-18(16)21)10-3-6-22-7-4-10/h1-9,24H,21H2
InChIKeyYZPRNUIZJURTKK-UHFFFAOYSA-N
XLogP4.49
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine (CID 86280679) is 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine is Nc1oc2c(-c3ccncc3)nccc2c1Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
The InChIKey is YZPRNUIZJURTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-13-2-1-11(9-14(13)20)24-16-12-5-8-23-15(17(12)25-18(16)21)10-3-6-22-7-4-10/h1-9,24H,21H2.
What are the key properties of 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine has a molecular weight of 338.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86280679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).