4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine

C19H12F4N4O — CID 118871049

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccncc3)ncc(-c3ccc(F)c(C(F)(F)F)c3)c2c1N
InChIInChI=1S/C19H12F4N4O/c20-13-2-1-10(7-12(13)19(21,22)23)11-8-27-16(9-3-5-26-6-4-9)17-14(11)15(24)18(25)28-17/h1-8H,24-25H2
InChIKeyUYXMPPXXGBTMBE-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.88
Rot. Bonds2

About 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine

4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine (PubChem CID 118871049) has the molecular formula C19H12F4N4O and a molecular weight of 388.32 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine
PubChem CID118871049
Molecular FormulaC19H12F4N4O
Molecular Weight388.32 g/mol
Exact Mass388.09
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccncc3)ncc(-c3ccc(F)c(C(F)(F)F)c3)c2c1N
InChIInChI=1S/C19H12F4N4O/c20-13-2-1-10(7-12(13)19(21,22)23)11-8-27-16(9-3-5-26-6-4-9)17-14(11)15(24)18(25)28-17/h1-8H,24-25H2
InChIKeyUYXMPPXXGBTMBE-UHFFFAOYSA-N
XLogP4.88
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine (CID 118871049) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine is Nc1oc2c(-c3ccncc3)ncc(-c3ccc(F)c(C(F)(F)F)c3)c2c1N.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
The InChIKey is UYXMPPXXGBTMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O/c20-13-2-1-10(7-12(13)19(21,22)23)11-8-27-16(9-3-5-26-6-4-9)17-14(11)15(24)18(25)28-17/h1-8H,24-25H2.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine has a molecular weight of 388.32 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118871049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).