N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine

C23H16F3N3O — CID 89376345

IUPACN-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4ccccc4C(F)(F)F)oc4cnccc34)ccc21
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-4-2-1-3-16(18)22-21(17-9-10-28-12-20(17)30-22)29-14-6-7-15-13(11-14)5-8-19(15)27/h1-4,6-7,9-12,27,29H,5,8H2/b27-19+
InChIKeyDDIBKXJWVQXMDN-ZXVVBBHZSA-N
MW407.40 g/mol
LogP6.57
Rot. Bonds3

About N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine

N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine (PubChem CID 89376345) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
PubChem CID89376345
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4ccccc4C(F)(F)F)oc4cnccc34)ccc21
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-4-2-1-3-16(18)22-21(17-9-10-28-12-20(17)30-22)29-14-6-7-15-13(11-14)5-8-19(15)27/h1-4,6-7,9-12,27,29H,5,8H2/b27-19+
InChIKeyDDIBKXJWVQXMDN-ZXVVBBHZSA-N
XLogP6.57
TPSA61.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?
The IUPAC name of N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine (CID 89376345) is N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine is [H]/N=C1\CCc2cc(Nc3c(-c4ccccc4C(F)(F)F)oc4cnccc34)ccc21.
What is the InChIKey of N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?
The InChIKey is DDIBKXJWVQXMDN-ZXVVBBHZSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)18-4-2-1-3-16(18)22-21(17-9-10-28-12-20(17)30-22)29-14-6-7-15-13(11-14)5-8-19(15)27/h1-4,6-7,9-12,27,29H,5,8H2/b27-19+.
What are the key properties of N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?
N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine has a molecular weight of 407.40 g/mol, XLogP of 6.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-2,3-dihydroinden-5-yl)-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 89376345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).