2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile

C23H24ClN7 — CID 170018391

IUPAC2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile
SMILESC/N=C/c1cc(-c2cc(Cl)c3cc(N4CC(C)NC(C)C4)cnc3n2)cc(C#N)c1N
InChIInChI=1S/C23H24ClN7/c1-13-11-31(12-14(2)29-13)18-6-19-20(24)7-21(30-23(19)28-10-18)15-4-16(8-25)22(26)17(5-15)9-27-3/h4-7,9-10,13-14,29H,11-12,26H2,1-3H3/b27-9+
InChIKeySYYLHIBKRMJVEK-OXUBWTJQSA-N
MW433.95 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile

2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile (PubChem CID 170018391) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile.

Molecular Properties

Compound Name2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile
PubChem CID170018391
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile
SMILESC/N=C/c1cc(-c2cc(Cl)c3cc(N4CC(C)NC(C)C4)cnc3n2)cc(C#N)c1N
InChIInChI=1S/C23H24ClN7/c1-13-11-31(12-14(2)29-13)18-6-19-20(24)7-21(30-23(19)28-10-18)15-4-16(8-25)22(26)17(5-15)9-27-3/h4-7,9-10,13-14,29H,11-12,26H2,1-3H3/b27-9+
InChIKeySYYLHIBKRMJVEK-OXUBWTJQSA-N
XLogP3.64
TPSA103.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-chloro-6-(4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridin-2-yl]-2-fluoro-6-(methyliminomethyl)aniline
CID 168978886
3-amino-6-[6-[3-[4-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-2-methyl-4-(methyliminomethyl)phenol;ethane
CID 168978591
4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine
CID 170011397
4-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine
CID 168978995
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
CID 168979054
5-amino-2-[6-[3-(butylamino)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-4-methanimidoylphenol;5-amino-2-[6-[3-(butylamino)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-4-(methyliminomethyl)phenol;4-(5-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-2-fluoro-6-(methyliminomethyl)aniline
CID 168978326
4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine
CID 168979041
(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine
CID 170019279
5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 170012675
4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine
CID 170011811

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile?
The IUPAC name of 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile (CID 170018391) is 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile.
What is the SMILES notation for 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile?
The canonical SMILES for 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile is C/N=C/c1cc(-c2cc(Cl)c3cc(N4CC(C)NC(C)C4)cnc3n2)cc(C#N)c1N.
What is the InChIKey of 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile?
The InChIKey is SYYLHIBKRMJVEK-OXUBWTJQSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-13-11-31(12-14(2)29-13)18-6-19-20(24)7-21(30-23(19)28-10-18)15-4-16(8-25)22(26)17(5-15)9-27-3/h4-7,9-10,13-14,29H,11-12,26H2,1-3H3/b27-9+.
What are the key properties of 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile?
2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile has a molecular weight of 433.95 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-3-(methyliminomethyl)benzonitrile is sourced from PubChem (CID 170018391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).