7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine

C29H27ClN6 — CID 56591942

IUPAC7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine
SMILESCN1CCC(/N=c2\cc3n(-c4ccccc4)c4cc(Cl)ccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C29H27ClN6/c1-35-14-11-21(12-15-35)32-26-18-29-27(17-25(26)33-22-6-5-13-31-19-22)34-24-10-9-20(30)16-28(24)36(29)23-7-3-2-4-8-23/h2-10,13,16-19,21,33H,11-12,14-15H2,1H3/b32-26+
InChIKeyFMLUOBPYPLVHIS-HMZBKAONSA-N
MW495.03 g/mol
LogP5.92
Rot. Bonds4

About 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine

7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56591942) has the molecular formula C29H27ClN6 and a molecular weight of 495.03 g/mol. Its IUPAC name is 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine
PubChem CID56591942
Molecular FormulaC29H27ClN6
Molecular Weight495.03 g/mol
Exact Mass494.20
IUPAC Name7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine
SMILESCN1CCC(/N=c2\cc3n(-c4ccccc4)c4cc(Cl)ccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C29H27ClN6/c1-35-14-11-21(12-15-35)32-26-18-29-27(17-25(26)33-22-6-5-13-31-19-22)34-24-10-9-20(30)16-28(24)36(29)23-7-3-2-4-8-23/h2-10,13,16-19,21,33H,11-12,14-15H2,1H3/b32-26+
InChIKeyFMLUOBPYPLVHIS-HMZBKAONSA-N
XLogP5.92
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 55.92
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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Related Compounds

5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
CID 56592452
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
CID 56592282
5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine
CID 66805884
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717
3-(4-methoxycyclohexyl)imino-6-methyl-5-phenyl-N-pyridin-3-ylphenazin-2-amine
CID 56592108
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
CID 66805881
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyrimidin-5-ylphenazin-2-amine
CID 66805753
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66805872

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine (CID 56591942) is 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine is CN1CCC(/N=c2\cc3n(-c4ccccc4)c4cc(Cl)ccc4nc-3cc2Nc2cccnc2)CC1.
What is the InChIKey of 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is FMLUOBPYPLVHIS-HMZBKAONSA-N. The full InChI is InChI=1S/C29H27ClN6/c1-35-14-11-21(12-15-35)32-26-18-29-27(17-25(26)33-22-6-5-13-31-19-22)34-24-10-9-20(30)16-28(24)36(29)23-7-3-2-4-8-23/h2-10,13,16-19,21,33H,11-12,14-15H2,1H3/b32-26+.
What are the key properties of 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine?
7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 495.03 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56591942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).