[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride

C23H19Cl2N3 — CID 86659516

IUPAC[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
SMILES[Cl-].[NH3+]C1(c2ccc(-c3nc4ccnc(Cl)c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H18ClN3.ClH/c24-22-19-14-18(15-4-2-1-3-5-15)21(27-20(19)10-13-26-22)16-6-8-17(9-7-16)23(25)11-12-23;/h1-10,13-14H,11-12,25H2;1H
InChIKeyTXPGVOFLLVCBLZ-UHFFFAOYSA-N
MW408.33 g/mol
LogP1.85
Rot. Bonds3

About [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride

[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride (PubChem CID 86659516) has the molecular formula C23H19Cl2N3 and a molecular weight of 408.33 g/mol. Its IUPAC name is [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride.

Molecular Properties

Compound Name[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
PubChem CID86659516
Molecular FormulaC23H19Cl2N3
Molecular Weight408.33 g/mol
Exact Mass407.10
IUPAC Name[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
SMILES[Cl-].[NH3+]C1(c2ccc(-c3nc4ccnc(Cl)c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H18ClN3.ClH/c24-22-19-14-18(15-4-2-1-3-5-15)21(27-20(19)10-13-26-22)16-6-8-17(9-7-16)23(25)11-12-23;/h1-10,13-14H,11-12,25H2;1H
InChIKeyTXPGVOFLLVCBLZ-UHFFFAOYSA-N
XLogP1.85
TPSA53.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride 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

1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine
CID 87561536
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
CID 87574586
(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
CID 58524476
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 90991099
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
2-(4-chlorophenyl)-5-cyclopropyl-3-phenyl-1,6-naphthyridine
CID 67002197
[2-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-yl] N-tert-butylcarbamate
CID 90722650
5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
CID 87585565
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
CID 163851685

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride?
The IUPAC name of [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride (CID 86659516) is [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride.
What is the SMILES notation for [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride?
The canonical SMILES for [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride is [Cl-].[NH3+]C1(c2ccc(-c3nc4ccnc(Cl)c4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride?
The InChIKey is TXPGVOFLLVCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3.ClH/c24-22-19-14-18(15-4-2-1-3-5-15)21(27-20(19)10-13-26-22)16-6-8-17(9-7-16)23(25)11-12-23;/h1-10,13-14H,11-12,25H2;1H.
What are the key properties of [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride?
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride has a molecular weight of 408.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride is sourced from PubChem (CID 86659516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).