3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine

C27H20Cl2FN5O — CID 66806287

IUPAC3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccc(F)cc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1
InChIInChI=1S/C27H20Cl2FN5O/c1-36-27-21(3-2-10-31-27)34-22-13-24-26(14-23(22)32-16-5-6-16)35(17-7-8-18(28)19(29)12-17)25-11-15(30)4-9-20(25)33-24/h2-4,7-14,16,34H,5-6H2,1H3/b32-23+
InChIKeyDVJHFEGGUAVVAW-AWSUPERCSA-N
MW520.40 g/mol
LogP6.79
Rot. Bonds5

About 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine

3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine (PubChem CID 66806287) has the molecular formula C27H20Cl2FN5O and a molecular weight of 520.40 g/mol. Its IUPAC name is 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
PubChem CID66806287
Molecular FormulaC27H20Cl2FN5O
Molecular Weight520.40 g/mol
Exact Mass519.10
IUPAC Name3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccc(F)cc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1
InChIInChI=1S/C27H20Cl2FN5O/c1-36-27-21(3-2-10-31-27)34-22-13-24-26(14-23(22)32-16-5-6-16)35(17-7-8-18(28)19(29)12-17)25-11-15(30)4-9-20(25)33-24/h2-4,7-14,16,34H,5-6H2,1H3/b32-23+
InChIKeyDVJHFEGGUAVVAW-AWSUPERCSA-N
XLogP6.79
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.40
LogP ≤ 56.79
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 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine (CID 66806287) is 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine is COc1ncccc1Nc1cc2nc3ccc(F)cc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1.
What is the InChIKey of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
The InChIKey is DVJHFEGGUAVVAW-AWSUPERCSA-N. The full InChI is InChI=1S/C27H20Cl2FN5O/c1-36-27-21(3-2-10-31-27)34-22-13-24-26(14-23(22)32-16-5-6-16)35(17-7-8-18(28)19(29)12-17)25-11-15(30)4-9-20(25)33-24/h2-4,7-14,16,34H,5-6H2,1H3/b32-23+.
What are the key properties of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine has a molecular weight of 520.40 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66806287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).