3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile

C141H101Cl2F4N25O — CID 159453121

IUPAC3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(NCCc4cccnc4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4ccc(C#N)cc4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4cccc(C(N)=O)c4)c3c2)ccc1F.Clc1cccc(-c2ncccc2-c2cnc3ncccc3c2)c1.Fc1ccc(-c2ncccc2-c2cnc3ncccc3c2)cc1Cl.Nc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12
InChIInChI=1S/C27H20FN5O.C27H22FN5.C27H18FN5.C22H18N4.C19H11ClFN3.C19H12ClN3/c1-16-12-18(7-9-23(16)28)25-21(6-3-11-30-25)17-8-10-24-22(14-17)27(32-15-31-24)33-20-5-2-4-19(13-20)26(29)34;1-18-14-21(6-8-24(18)28)26-22(5-3-12-30-26)20-7-9-25-23(15-20)27(33-17-32-25)31-13-10-19-4-2-11-29-16-19;1-17-13-20(6-10-24(17)28)26-22(3-2-12-30-26)19-7-11-25-23(14-19)27(32-16-31-25)33-21-8-4-18(15-29)5-9-21;23-22-19-12-16(8-9-20(19)25-13-26-22)18-5-2-10-24-21(18)17-4-1-3-15(11-17)14-6-7-14;20-16-10-12(5-6-17(16)21)18-15(4-2-7-22-18)14-9-13-3-1-8-23-19(13)24-11-14;20-16-6-1-4-13(11-16)18-17(7-3-8-21-18)15-10-14-5-2-9-22-19(14)23-12-15/h2-15H,1H3,(H2,29,34)(H,31,32,33);2-9,11-12,14-17H,10,13H2,1H3,(H,31,32,33);2-14,16H,1H3,(H,31,32,33);1-5,8-14H,6-7H2,(H2,23,25,26);1-11H;1-12H
InChIKeyLTQARBYQUWCBGW-UHFFFAOYSA-N
MW2308.43 g/mol
LogP32.91
Rot. Bonds22

About 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile

3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile (PubChem CID 159453121) has the molecular formula C141H101Cl2F4N25O and a molecular weight of 2308.43 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile
PubChem CID159453121
Molecular FormulaC141H101Cl2F4N25O
Molecular Weight2308.43 g/mol
Exact Mass2305.79
IUPAC Name3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(NCCc4cccnc4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4ccc(C#N)cc4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4cccc(C(N)=O)c4)c3c2)ccc1F.Clc1cccc(-c2ncccc2-c2cnc3ncccc3c2)c1.Fc1ccc(-c2ncccc2-c2cnc3ncccc3c2)cc1Cl.Nc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12
InChIInChI=1S/C27H20FN5O.C27H22FN5.C27H18FN5.C22H18N4.C19H11ClFN3.C19H12ClN3/c1-16-12-18(7-9-23(16)28)25-21(6-3-11-30-25)17-8-10-24-22(14-17)27(32-15-31-24)33-20-5-2-4-19(13-20)26(29)34;1-18-14-21(6-8-24(18)28)26-22(5-3-12-30-26)20-7-9-25-23(15-20)27(33-17-32-25)31-13-10-19-4-2-11-29-16-19;1-17-13-20(6-10-24(17)28)26-22(3-2-12-30-26)19-7-11-25-23(14-19)27(32-16-31-25)33-21-8-4-18(15-29)5-9-21;23-22-19-12-16(8-9-20(19)25-13-26-22)18-5-2-10-24-21(18)17-4-1-3-15(11-17)14-6-7-14;20-16-10-12(5-6-17(16)21)18-15(4-2-7-22-18)14-9-13-3-1-8-23-19(13)24-11-14;20-16-6-1-4-13(11-16)18-17(7-3-8-21-18)15-10-14-5-2-9-22-19(14)23-12-15/h2-15H,1H3,(H2,29,34)(H,31,32,33);2-9,11-12,14-17H,10,13H2,1H3,(H,31,32,33);2-14,16H,1H3,(H,31,32,33);1-5,8-14H,6-7H2,(H2,23,25,26);1-11H;1-12H
InChIKeyLTQARBYQUWCBGW-UHFFFAOYSA-N
XLogP32.91
TPSA373.90 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002308.43
LogP ≤ 532.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90095598
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094571
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
CID 3235560
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine
CID 158947159
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158759331
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 56942640
7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
CID 36722460
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094988
4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline
CID 90094467
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 90095575
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile?
The IUPAC name of 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile (CID 159453121) is 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile.
What is the SMILES notation for 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile?
The canonical SMILES for 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile is Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCc4cccnc4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4ccc(C#N)cc4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4cccc(C(N)=O)c4)c3c2)ccc1F.Clc1cccc(-c2ncccc2-c2cnc3ncccc3c2)c1.Fc1ccc(-c2ncccc2-c2cnc3ncccc3c2)cc1Cl.Nc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.
What is the InChIKey of 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile?
The InChIKey is LTQARBYQUWCBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O.C27H22FN5.C27H18FN5.C22H18N4.C19H11ClFN3.C19H12ClN3/c1-16-12-18(7-9-23(16)28)25-21(6-3-11-30-25)17-8-10-24-22(14-17)27(32-15-31-24)33-20-5-2-4-19(13-20)26(29)34;1-18-14-21(6-8-24(18)28)26-22(5-3-12-30-26)20-7-9-25-23(15-20)27(33-17-32-25)31-13-10-19-4-2-11-29-16-19;1-17-13-20(6-10-24(17)28)26-22(3-2-12-30-26)19-7-11-25-23(14-19)27(32-16-31-25)33-21-8-4-18(15-29)5-9-21;23-22-19-12-16(8-9-20(19)25-13-26-22)18-5-2-10-24-21(18)17-4-1-3-15(11-17)14-6-7-14;20-16-10-12(5-6-17(16)21)18-15(4-2-7-22-18)14-9-13-3-1-8-23-19(13)24-11-14;20-16-6-1-4-13(11-16)18-17(7-3-8-21-18)15-10-14-5-2-9-22-19(14)23-12-15/h2-15H,1H3,(H2,29,34)(H,31,32,33);2-9,11-12,14-17H,10,13H2,1H3,(H,31,32,33);2-14,16H,1H3,(H,31,32,33);1-5,8-14H,6-7H2,(H2,23,25,26);1-11H;1-12H.
What are the key properties of 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile?
3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile has a molecular weight of 2308.43 g/mol, XLogP of 32.91, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)quinazolin-4-amine;3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile is sourced from PubChem (CID 159453121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).