3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine

C103H99Cl5F4N14O — CID 160760303

IUPAC3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine
SMILESC=CC(=O)N1CCN(c2nc(C)c(-c3ccccc3C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.Cc1ccccc1-c1c(C)nc(N2CCCC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc12.Cc1ccccc1-c1c(N)nc(N2CCCC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc12.[H]/N=C(/c1cc(Cl)c(-c2ccccc2F)nc1Cl)N1CCCC[C@@H]1C
InChIInChI=1S/C30H28ClFN4O.C28H27ClFN3.C27H26ClFN4.C18H18Cl2FN3/c1-5-26(37)35-14-15-36(19(3)17-35)30-23-16-24(31)28(22-12-8-9-13-25(22)32)34-29(23)27(20(4)33-30)21-11-7-6-10-18(21)2;1-17-10-4-5-12-20(17)25-19(3)31-28(33-15-9-8-11-18(33)2)22-16-23(29)26(32-27(22)25)21-13-6-7-14-24(21)30;1-16-9-3-4-11-18(16)23-25-20(27(32-26(23)30)33-14-8-7-10-17(33)2)15-21(28)24(31-25)19-12-5-6-13-22(19)29;1-11-6-4-5-9-24(11)18(22)13-10-14(19)16(23-17(13)20)12-7-2-3-8-15(12)21/h5-13,16,19H,1,14-15,17H2,2-4H3;4-7,10,12-14,16,18H,8-9,11,15H2,1-3H3;3-6,9,11-13,15,17H,7-8,10,14H2,1-2H3,(H2,30,32);2-3,7-8,10-11,22H,4-6,9H2,1H3/b;;;22-18-/t19-;18-;17-;11-/m0000/s1
InChIKeyRXYYHXLWTQRPDI-YPPQDEJUSA-N
MW1802.28 g/mol
LogP26.77
Rot. Bonds12

About 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine

3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine (PubChem CID 160760303) has the molecular formula C103H99Cl5F4N14O and a molecular weight of 1802.28 g/mol. Its IUPAC name is 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine
PubChem CID160760303
Molecular FormulaC103H99Cl5F4N14O
Molecular Weight1802.28 g/mol
Exact Mass1798.65
IUPAC Name3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine
SMILESC=CC(=O)N1CCN(c2nc(C)c(-c3ccccc3C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.Cc1ccccc1-c1c(C)nc(N2CCCC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc12.Cc1ccccc1-c1c(N)nc(N2CCCC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc12.[H]/N=C(/c1cc(Cl)c(-c2ccccc2F)nc1Cl)N1CCCC[C@@H]1C
InChIInChI=1S/C30H28ClFN4O.C28H27ClFN3.C27H26ClFN4.C18H18Cl2FN3/c1-5-26(37)35-14-15-36(19(3)17-35)30-23-16-24(31)28(22-12-8-9-13-25(22)32)34-29(23)27(20(4)33-30)21-11-7-6-10-18(21)2;1-17-10-4-5-12-20(17)25-19(3)31-28(33-15-9-8-11-18(33)2)22-16-23(29)26(32-27(22)25)21-13-6-7-14-24(21)30;1-16-9-3-4-11-18(16)23-25-20(27(32-26(23)30)33-14-8-7-10-17(33)2)15-21(28)24(31-25)19-12-5-6-13-22(19)29;1-11-6-4-5-9-24(11)18(22)13-10-14(19)16(23-17(13)20)12-7-2-3-8-15(12)21/h5-13,16,19H,1,14-15,17H2,2-4H3;4-7,10,12-14,16,18H,8-9,11,15H2,1-3H3;3-6,9,11-13,15,17H,7-8,10,14H2,1-2H3,(H2,30,32);2-3,7-8,10-11,22H,4-6,9H2,1H3/b;;;22-18-/t19-;18-;17-;11-/m0000/s1
InChIKeyRXYYHXLWTQRPDI-YPPQDEJUSA-N
XLogP26.77
TPSA173.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.28
LogP ≤ 526.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine with MolForge

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Related Compounds

1-(4-(3-Chloro-2-(2-fluorophenyl)-8-(2-isopropylphenyl)-7-(morpholinomethyl)-1,6-naphthyridin-5-yl)piperazin-1-yl)prop-2-en-1-one
CID 153292415
1-[4-[3-Chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one
CID 146234979
1-[4-[3-Chloro-8-(2-cyclopropylphenyl)-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one
CID 146234981
1-[4-[3-Chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one
CID 146234982
1-[(3S)-4-[7-amino-3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 146235009
3-Chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carbonitrile
CID 146235040
3-Chloro-2-(2-fluorophenyl)-8-(4-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carbonitrile
CID 146235043
3-Chloro-2-(2-fluorophenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-8-(2-propylphenyl)-1,6-naphthyridine-7-carbonitrile
CID 146235044
Tert-butyl 4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxylate
CID 146235148
1-[(3S)-4-[3-chloro-7-fluoro-2-(2-fluorophenyl)-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 146235152
1-[(3S)-4-[3-chloro-7-[(dimethylamino)methyl]-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 146235235
1-[4-[3-Chloro-7-[(dimethylamino)methyl]-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one
CID 146235244

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine?
The IUPAC name of 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine (CID 160760303) is 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine.
What is the SMILES notation for 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine?
The canonical SMILES for 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine is C=CC(=O)N1CCN(c2nc(C)c(-c3ccccc3C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.Cc1ccccc1-c1c(C)nc(N2CCCC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc12.Cc1ccccc1-c1c(N)nc(N2CCCC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc12.[H]/N=C(/c1cc(Cl)c(-c2ccccc2F)nc1Cl)N1CCCC[C@@H]1C.
What is the InChIKey of 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine?
The InChIKey is RXYYHXLWTQRPDI-YPPQDEJUSA-N. The full InChI is InChI=1S/C30H28ClFN4O.C28H27ClFN3.C27H26ClFN4.C18H18Cl2FN3/c1-5-26(37)35-14-15-36(19(3)17-35)30-23-16-24(31)28(22-12-8-9-13-25(22)32)34-29(23)27(20(4)33-30)21-11-7-6-10-18(21)2;1-17-10-4-5-12-20(17)25-19(3)31-28(33-15-9-8-11-18(33)2)22-16-23(29)26(32-27(22)25)21-13-6-7-14-24(21)30;1-16-9-3-4-11-18(16)23-25-20(27(32-26(23)30)33-14-8-7-10-17(33)2)15-21(28)24(31-25)19-12-5-6-13-22(19)29;1-11-6-4-5-9-24(11)18(22)13-10-14(19)16(23-17(13)20)12-7-2-3-8-15(12)21/h5-13,16,19H,1,14-15,17H2,2-4H3;4-7,10,12-14,16,18H,8-9,11,15H2,1-3H3;3-6,9,11-13,15,17H,7-8,10,14H2,1-2H3,(H2,30,32);2-3,7-8,10-11,22H,4-6,9H2,1H3/b;;;22-18-/t19-;18-;17-;11-/m0000/s1.
What are the key properties of 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine?
3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine has a molecular weight of 1802.28 g/mol, XLogP of 26.77, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine is sourced from PubChem (CID 160760303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).