N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine

C23H16F3N3O2 — CID 90799871

About N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine

N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine (PubChem CID 90799871) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
• PubChem CID: 90799871
• Molecular Formula: C23H16F3N3O2
• Molecular Weight: 423.39 g/mol
• Exact Mass: 423.12
• IUPAC Name: N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
• SMILES: O=NC1CCc2cc(Nc3c(-c4ccc(C(F)(F)F)cc4)oc4cnccc34)ccc21
• InChI: InChI=1S/C23H16F3N3O2/c24-23(25,26)15-4-1-13(2-5-15)22-21(18-9-10-27-12-20(18)31-22)28-16-6-7-17-14(11-16)3-8-19(17)29-30/h1-2,4-7,9-12,19,28H,3,8H2
• InChIKey: IBVGOCKAAWJEGS-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.39
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

The IUPAC name of N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine (CID 90799871) is N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine.

What is the SMILES notation for N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

The canonical SMILES for N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine is O=NC1CCc2cc(Nc3c(-c4ccc(C(F)(F)F)cc4)oc4cnccc34)ccc21.

What is the InChIKey of N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

The InChIKey is IBVGOCKAAWJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c24-23(25,26)15-4-1-13(2-5-15)22-21(18-9-10-27-12-20(18)31-22)28-16-6-7-17-14(11-16)3-8-19(17)29-30/h1-2,4-7,9-12,19,28H,3,8H2.

What are the key properties of N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine has a molecular weight of 423.39 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 90799871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).