3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine

C28H22F3N5O2 — CID 66806320

IUPAC3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CC1
InChIInChI=1S/C28H22F3N5O2/c1-37-27-21(6-4-14-32-27)35-22-15-24-26(16-23(22)33-17-8-9-17)36(25-7-3-2-5-20(25)34-24)18-10-12-19(13-11-18)38-28(29,30)31/h2-7,10-17,35H,8-9H2,1H3/b33-23+
InChIKeyHJNRHESDLYHUQW-GZZLJNBRSA-N
MW517.51 g/mol
LogP6.24
Rot. Bonds6

About 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine

3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine (PubChem CID 66806320) has the molecular formula C28H22F3N5O2 and a molecular weight of 517.51 g/mol. Its IUPAC name is 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
PubChem CID66806320
Molecular FormulaC28H22F3N5O2
Molecular Weight517.51 g/mol
Exact Mass517.17
IUPAC Name3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CC1
InChIInChI=1S/C28H22F3N5O2/c1-37-27-21(6-4-14-32-27)35-22-15-24-26(16-23(22)33-17-8-9-17)36(25-7-3-2-5-20(25)34-24)18-10-12-19(13-11-18)38-28(29,30)31/h2-7,10-17,35H,8-9H2,1H3/b33-23+
InChIKeyHJNRHESDLYHUQW-GZZLJNBRSA-N
XLogP6.24
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine (CID 66806320) is 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine is COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CC1.
What is the InChIKey of 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?
The InChIKey is HJNRHESDLYHUQW-GZZLJNBRSA-N. The full InChI is InChI=1S/C28H22F3N5O2/c1-37-27-21(6-4-14-32-27)35-22-15-24-26(16-23(22)33-17-8-9-17)36(25-7-3-2-5-20(25)34-24)18-10-12-19(13-11-18)38-28(29,30)31/h2-7,10-17,35H,8-9H2,1H3/b33-23+.
What are the key properties of 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?
3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine has a molecular weight of 517.51 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine is sourced from PubChem (CID 66806320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).