bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene

C60H56N10O2 — CID 139056780

IUPACbis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3c(C#N)c(N4CCCCC4)nc(N)c23)cc1.COc1ccc(-c2cc(-c3ccccc3)nc3c(C#N)c(N4CCCCC4)nc(N)c23)cc1.c1ccccc1
InChIInChI=1S/2C27H25N5O.C6H6/c2*1-33-20-12-10-18(11-13-20)21-16-23(19-8-4-2-5-9-19)30-25-22(17-28)27(31-26(29)24(21)25)32-14-6-3-7-15-32;1-2-4-6-5-3-1/h2*2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H2,29,31);1-6H
InChIKeyZLIJLEKBJVEJHC-UHFFFAOYSA-N
MW949.18 g/mol
LogP12.52
Rot. Bonds8

About bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene

bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene (PubChem CID 139056780) has the molecular formula C60H56N10O2 and a molecular weight of 949.18 g/mol. Its IUPAC name is bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene.

Molecular Properties

Compound Namebis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene
PubChem CID139056780
Molecular FormulaC60H56N10O2
Molecular Weight949.18 g/mol
Exact Mass948.46
IUPAC Namebis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3c(C#N)c(N4CCCCC4)nc(N)c23)cc1.COc1ccc(-c2cc(-c3ccccc3)nc3c(C#N)c(N4CCCCC4)nc(N)c23)cc1.c1ccccc1
InChIInChI=1S/2C27H25N5O.C6H6/c2*1-33-20-12-10-18(11-13-20)21-16-23(19-8-4-2-5-9-19)30-25-22(17-28)27(31-26(29)24(21)25)32-14-6-3-7-15-32;1-2-4-6-5-3-1/h2*2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H2,29,31);1-6H
InChIKeyZLIJLEKBJVEJHC-UHFFFAOYSA-N
XLogP12.52
TPSA176.12 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.18
LogP ≤ 512.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene?
The IUPAC name of bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene (CID 139056780) is bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene.
What is the SMILES notation for bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene?
The canonical SMILES for bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene is COc1ccc(-c2cc(-c3ccccc3)nc3c(C#N)c(N4CCCCC4)nc(N)c23)cc1.COc1ccc(-c2cc(-c3ccccc3)nc3c(C#N)c(N4CCCCC4)nc(N)c23)cc1.c1ccccc1.
What is the InChIKey of bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene?
The InChIKey is ZLIJLEKBJVEJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H25N5O.C6H6/c2*1-33-20-12-10-18(11-13-20)21-16-23(19-8-4-2-5-9-19)30-25-22(17-28)27(31-26(29)24(21)25)32-14-6-3-7-15-32;1-2-4-6-5-3-1/h2*2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H2,29,31);1-6H.
What are the key properties of bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene?
bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene has a molecular weight of 949.18 g/mol, XLogP of 12.52, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile);benzene is sourced from PubChem (CID 139056780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).