4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine

C121H99Cl3F5N17O3 — CID 159589201

IUPAC4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCOCC4)cc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(OCCN4CCCC4)cc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc4c(c3)CCNC4)c2)c2cccnc2n1.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OCCN5CCNCC5)c4)c3)c3cccnc3n2)c1
InChIInChI=1S/2C31H26ClFN4O.C31H27F2N5O.C28H20ClFN4/c32-25-7-8-29(33)28(17-25)30-18-27(26-2-1-10-35-31(26)36-30)24-16-23(19-34-20-24)22-5-3-21(4-6-22)9-11-37-12-14-38-15-13-37;32-24-7-10-29(33)28(17-24)30-18-27(26-4-3-11-35-31(26)36-30)23-16-22(19-34-20-23)21-5-8-25(9-6-21)38-15-14-37-12-1-2-13-37;32-24-6-7-29(33)28(17-24)30-18-27(26-5-2-8-36-31(26)37-30)23-15-22(19-35-20-23)21-3-1-4-25(16-21)39-14-13-38-11-9-34-10-12-38;29-22-5-6-26(30)25(12-22)27-13-24(23-2-1-8-33-28(23)34-27)21-11-20(15-32-16-21)17-3-4-19-14-31-9-7-18(19)10-17/h1-8,10,16-20H,9,11-15H2;3-11,16-20H,1-2,12-15H2;1-8,15-20,34H,9-14H2;1-6,8,10-13,15-16,31H,7,9,14H2
InChIKeyMKACYRJFGPNBLW-UHFFFAOYSA-N
MW2040.59 g/mol
LogP26.04
Rot. Bonds23

About 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine

4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 159589201) has the molecular formula C121H99Cl3F5N17O3 and a molecular weight of 2040.59 g/mol. Its IUPAC name is 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID159589201
Molecular FormulaC121H99Cl3F5N17O3
Molecular Weight2040.59 g/mol
Exact Mass2037.71
IUPAC Name4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCOCC4)cc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(OCCN4CCCC4)cc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc4c(c3)CCNC4)c2)c2cccnc2n1.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OCCN5CCNCC5)c4)c3)c3cccnc3n2)c1
InChIInChI=1S/2C31H26ClFN4O.C31H27F2N5O.C28H20ClFN4/c32-25-7-8-29(33)28(17-25)30-18-27(26-2-1-10-35-31(26)36-30)24-16-23(19-34-20-24)22-5-3-21(4-6-22)9-11-37-12-14-38-15-13-37;32-24-7-10-29(33)28(17-24)30-18-27(26-4-3-11-35-31(26)36-30)23-16-22(19-34-20-23)21-5-8-25(9-6-21)38-15-14-37-12-1-2-13-37;32-24-6-7-29(33)28(17-24)30-18-27(26-5-2-8-36-31(26)37-30)23-15-22(19-35-20-23)21-3-1-4-25(16-21)39-14-13-38-11-9-34-10-12-38;29-22-5-6-26(30)25(12-22)27-13-24(23-2-1-8-33-28(23)34-27)21-11-20(15-32-16-21)17-3-4-19-14-31-9-7-18(19)10-17/h1-8,10,16-20H,9,11-15H2;3-11,16-20H,1-2,12-15H2;1-8,15-20,34H,9-14H2;1-6,8,10-13,15-16,31H,7,9,14H2
InChIKeyMKACYRJFGPNBLW-UHFFFAOYSA-N
XLogP26.04
TPSA216.15 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.59
LogP ≤ 526.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine with MolForge

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Related Compounds

2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine
CID 56592560
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine
CID 56592650
2-(5-Chloro-2-fluorophenyl)-4-[8-(2-pyrrolidin-1-ylethoxy)isoquinolin-5-yl]-1,8-naphthyridine
CID 56592810
N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethyl]-N-ethylpropan-1-amine
CID 68264745
2-(2,5-Difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264746
2-(5-Chloro-2-fluorophenyl)-4-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264749
4-[2-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethyl]morpholine
CID 68264758
2-(5-Chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68265045
2-[3-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethanamine
CID 71007868
3-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine
CID 89958903
2-[3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N-methylethanamine
CID 134188503
N-[(1E,3E)-2-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-[4-(2-morpholin-4-ylethoxy)phenyl]penta-1,3-dienyl]methanimine
CID 134188692

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine (CID 159589201) is 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCOCC4)cc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(OCCN4CCCC4)cc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc4c(c3)CCNC4)c2)c2cccnc2n1.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OCCN5CCNCC5)c4)c3)c3cccnc3n2)c1.
What is the InChIKey of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is MKACYRJFGPNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H26ClFN4O.C31H27F2N5O.C28H20ClFN4/c32-25-7-8-29(33)28(17-25)30-18-27(26-2-1-10-35-31(26)36-30)24-16-23(19-34-20-24)22-5-3-21(4-6-22)9-11-37-12-14-38-15-13-37;32-24-7-10-29(33)28(17-24)30-18-27(26-4-3-11-35-31(26)36-30)23-16-22(19-34-20-23)21-5-8-25(9-6-21)38-15-14-37-12-1-2-13-37;32-24-6-7-29(33)28(17-24)30-18-27(26-5-2-8-36-31(26)37-30)23-15-22(19-35-20-23)21-3-1-4-25(16-21)39-14-13-38-11-9-34-10-12-38;29-22-5-6-26(30)25(12-22)27-13-24(23-2-1-8-33-28(23)34-27)21-11-20(15-32-16-21)17-3-4-19-14-31-9-7-18(19)10-17/h1-8,10,16-20H,9,11-15H2;3-11,16-20H,1-2,12-15H2;1-8,15-20,34H,9-14H2;1-6,8,10-13,15-16,31H,7,9,14H2.
What are the key properties of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine?
4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 2040.59 g/mol, XLogP of 26.04, 23 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 159589201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).