N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C23H16F3N3O2 — CID 73226083

IUPACN-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(Nc3c(-c4ccc(C(F)(F)F)cc4)oc4cnccc34)ccc21
InChIInChI=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/h1-2,4-7,9-12,28,30H,3,8H2
InChIKeyDHYMXTZYMQHAPF-UHFFFAOYSA-N
MW423.39 g/mol
LogP6.38
Rot. Bonds3

About N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 73226083) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID73226083
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC NameN-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(Nc3c(-c4ccc(C(F)(F)F)cc4)oc4cnccc34)ccc21
InChIInChI=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/h1-2,4-7,9-12,28,30H,3,8H2
InChIKeyDHYMXTZYMQHAPF-UHFFFAOYSA-N
XLogP6.38
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 73226083) is N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(Nc3c(-c4ccc(C(F)(F)F)cc4)oc4cnccc34)ccc21.
What is the InChIKey of N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is DHYMXTZYMQHAPF-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/h1-2,4-7,9-12,28,30H,3,8H2.
What are the key properties of N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 423.39 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 73226083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).