bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid

C64H65BCl3N15O2 — CID 159045250

IUPACbis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid
SMILESCC(C)(C)N.CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.Clc1cc(-c2ccncc2)nc2cnccc12.Clc1cc(Cl)c2ccncc2n1.OB(O)c1ccncc1
InChIInChI=1S/2C17H18N4.C13H8ClN3.C8H4Cl2N2.C5H6BNO2.C4H11N/c2*1-17(2,3)21-15-10-14(12-4-7-18-8-5-12)20-16-11-19-9-6-13(15)16;14-11-7-12(9-1-4-15-5-2-9)17-13-8-16-6-3-10(11)13;9-6-3-8(10)12-7-4-11-2-1-5(6)7;8-6(9)5-1-3-7-4-2-5;1-4(2,3)5/h2*4-11H,1-3H3,(H,20,21);1-8H;1-4H;1-4,8-9H;5H2,1-3H3
InChIKeyJWOMHCTWICPXPJ-UHFFFAOYSA-N
MW1193.50 g/mol
LogP13.59
Rot. Bonds6

About bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid

bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid (PubChem CID 159045250) has the molecular formula C64H65BCl3N15O2 and a molecular weight of 1193.50 g/mol. Its IUPAC name is bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid.

Molecular Properties

Compound Namebis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid
PubChem CID159045250
Molecular FormulaC64H65BCl3N15O2
Molecular Weight1193.50 g/mol
Exact Mass1191.46
IUPAC Namebis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid
SMILESCC(C)(C)N.CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.Clc1cc(-c2ccncc2)nc2cnccc12.Clc1cc(Cl)c2ccncc2n1.OB(O)c1ccncc1
InChIInChI=1S/2C17H18N4.C13H8ClN3.C8H4Cl2N2.C5H6BNO2.C4H11N/c2*1-17(2,3)21-15-10-14(12-4-7-18-8-5-12)20-16-11-19-9-6-13(15)16;14-11-7-12(9-1-4-15-5-2-9)17-13-8-16-6-3-10(11)13;9-6-3-8(10)12-7-4-11-2-1-5(6)7;8-6(9)5-1-3-7-4-2-5;1-4(2,3)5/h2*4-11H,1-3H3,(H,20,21);1-8H;1-4H;1-4,8-9H;5H2,1-3H3
InChIKeyJWOMHCTWICPXPJ-UHFFFAOYSA-N
XLogP13.59
TPSA245.22 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.50
LogP ≤ 513.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid 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

N-(Tert-butyl)-2-(pyridin-4-YL)-1,7-naphthyridin-4-amine
CID 135390225
N-(3-(4-(3-(bis(quinolin-4-ylmethyl)amino)propyl)piperazin-1-yl)propyl)-7-chloroquinolin-4-amine
CID 10985114
US11458138, Example 298
CID 135368546
US11458138, Example 286
CID 135368718
US11458138, Example 285
CID 137350568
US11458138, Example 303
CID 137350730
7-chloro-N-[2-[4-[7-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]heptyl]piperazin-1-yl]ethyl]quinolin-4-amine
CID 3395106
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine
CID 70660136
6-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridin-4-amine
CID 126752019
1,4-Bis(3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propyl)piperazine
CID 141384488
6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146787633

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid?
The IUPAC name of bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid (CID 159045250) is bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid.
What is the SMILES notation for bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid?
The canonical SMILES for bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid is CC(C)(C)N.CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.Clc1cc(-c2ccncc2)nc2cnccc12.Clc1cc(Cl)c2ccncc2n1.OB(O)c1ccncc1.
What is the InChIKey of bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid?
The InChIKey is JWOMHCTWICPXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N4.C13H8ClN3.C8H4Cl2N2.C5H6BNO2.C4H11N/c2*1-17(2,3)21-15-10-14(12-4-7-18-8-5-12)20-16-11-19-9-6-13(15)16;14-11-7-12(9-1-4-15-5-2-9)17-13-8-16-6-3-10(11)13;9-6-3-8(10)12-7-4-11-2-1-5(6)7;8-6(9)5-1-3-7-4-2-5;1-4(2,3)5/h2*4-11H,1-3H3,(H,20,21);1-8H;1-4H;1-4,8-9H;5H2,1-3H3.
What are the key properties of bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid?
bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid has a molecular weight of 1193.50 g/mol, XLogP of 13.59, 6 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine);4-chloro-2-pyridin-4-yl-1,7-naphthyridine;2,4-dichloro-1,7-naphthyridine;2-methylpropan-2-amine;pyridin-4-ylboronic acid is sourced from PubChem (CID 159045250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).