3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine

C28H22F3N5 — CID 66805892

IUPAC3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
SMILESCc1cncc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CC2)c1
InChIInChI=1S/C28H22F3N5/c1-17-12-20(16-32-15-17)34-23-13-25-27(14-24(23)33-19-8-9-19)36(26-5-3-2-4-22(26)35-25)21-10-6-18(7-11-21)28(29,30)31/h2-7,10-16,19,34H,8-9H2,1H3/b33-24+
InChIKeyVJCMYMUDRRMWRB-IWBSIUBASA-N
MW485.51 g/mol
LogP6.66
Rot. Bonds4

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

3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine (PubChem CID 66805892) has the molecular formula C28H22F3N5 and a molecular weight of 485.51 g/mol. Its IUPAC name is 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
PubChem CID66805892
Molecular FormulaC28H22F3N5
Molecular Weight485.51 g/mol
Exact Mass485.18
IUPAC Name3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
SMILESCc1cncc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CC2)c1
InChIInChI=1S/C28H22F3N5/c1-17-12-20(16-32-15-17)34-23-13-25-27(14-24(23)33-19-8-9-19)36(26-5-3-2-4-22(26)35-25)21-10-6-18(7-11-21)28(29,30)31/h2-7,10-16,19,34H,8-9H2,1H3/b33-24+
InChIKeyVJCMYMUDRRMWRB-IWBSIUBASA-N
XLogP6.66
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
CID 66805573
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717
N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide
CID 66806345
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
CID 66805881
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
5-cyclohexa-1,3-dien-1-yl-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine
CID 68624704
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyrimidin-5-ylphenazin-2-amine
CID 66805753
5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
CID 56592282
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 66806320

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine (CID 66805892) is 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine is Cc1cncc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CC2)c1.
What is the InChIKey of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine?
The InChIKey is VJCMYMUDRRMWRB-IWBSIUBASA-N. The full InChI is InChI=1S/C28H22F3N5/c1-17-12-20(16-32-15-17)34-23-13-25-27(14-24(23)33-19-8-9-19)36(26-5-3-2-4-22(26)35-25)21-10-6-18(7-11-21)28(29,30)31/h2-7,10-16,19,34H,8-9H2,1H3/b33-24+.
What are the key properties of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine?
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine has a molecular weight of 485.51 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine is sourced from PubChem (CID 66805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).