5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

C27H23F2N5O — CID 66806289

IUPAC5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)c(F)c3)c-2c/c1=N\C(C)C
InChIInChI=1S/C27H23F2N5O/c1-16(2)31-23-15-26-24(14-22(23)33-21-8-6-12-30-27(21)35-3)32-20-7-4-5-9-25(20)34(26)17-10-11-18(28)19(29)13-17/h4-16,33H,1-3H3/b31-23+
InChIKeyFPXJANGTAMLCTL-UQRQXUALSA-N
MW471.51 g/mol
LogP5.86
Rot. Bonds5

About 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 66806289) has the molecular formula C27H23F2N5O and a molecular weight of 471.51 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
PubChem CID66806289
Molecular FormulaC27H23F2N5O
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC Name5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)c(F)c3)c-2c/c1=N\C(C)C
InChIInChI=1S/C27H23F2N5O/c1-16(2)31-23-15-26-24(14-22(23)33-21-8-6-12-30-27(21)35-3)32-20-7-4-5-9-25(20)34(26)17-10-11-18(28)19(29)13-17/h4-16,33H,1-3H3/b31-23+
InChIKeyFPXJANGTAMLCTL-UQRQXUALSA-N
XLogP5.86
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (CID 66806289) is 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)c(F)c3)c-2c/c1=N\C(C)C.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The InChIKey is FPXJANGTAMLCTL-UQRQXUALSA-N. The full InChI is InChI=1S/C27H23F2N5O/c1-16(2)31-23-15-26-24(14-22(23)33-21-8-6-12-30-27(21)35-3)32-20-7-4-5-9-25(20)34(26)17-10-11-18(28)19(29)13-17/h4-16,33H,1-3H3/b31-23+.
What are the key properties of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 471.51 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 66806289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).