4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one

C135H149ClF3N15O14 — CID 165032114

IUPAC4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1C(=O)N1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1C(=O)N1CCC(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2c(cccc2C(C)C)C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2cc(C(C)C)ccc2C1.Cc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/2C30H33N3O3.C25H26ClF2N3O3.C25H28FN3O3.C25H29N3O2/c1-19(2)20-6-7-22-16-33(11-9-21(22)12-20)18-27-28(35-4)13-23(14-29(27)36-5)26-17-32(3)30(34)25-15-31-10-8-24(25)26;1-19(2)22-8-6-7-20-16-33(12-10-23(20)22)18-27-28(35-4)13-21(14-29(27)36-5)26-17-32(3)30(34)25-15-31-11-9-24(25)26;1-14(2)19-6-8-31(13-25(19,27)28)24(33)22-20(26)9-15(10-21(22)34-4)18-12-30(3)23(32)17-11-29-7-5-16(17)18;1-15(2)16-6-9-29(10-7-16)25(31)23-21(26)11-17(12-22(23)32-4)20-14-28(3)24(30)19-13-27-8-5-18(19)20;1-16(2)18-8-11-28(12-9-18)25(30)20-6-5-19(13-17(20)3)23-15-27(4)24(29)22-14-26-10-7-21(22)23/h6-8,10,12-15,17,19H,9,11,16,18H2,1-5H3;6-9,11,13-15,17,19H,10,12,16,18H2,1-5H3;5,7,9-12,14,19H,6,8,13H2,1-4H3;5,8,11-16H,6-7,9-10H2,1-4H3;5-7,10,13-16,18H,8-9,11-12H2,1-4H3
InChIKeyMVBIGUHWYWKDEC-UHFFFAOYSA-N
MW2298.21 g/mol
LogP24.29
Rot. Bonds23

About 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one

4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one (PubChem CID 165032114) has the molecular formula C135H149ClF3N15O14 and a molecular weight of 2298.21 g/mol. Its IUPAC name is 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one
PubChem CID165032114
Molecular FormulaC135H149ClF3N15O14
Molecular Weight2298.21 g/mol
Exact Mass2296.10
IUPAC Name4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1C(=O)N1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1C(=O)N1CCC(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2c(cccc2C(C)C)C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2cc(C(C)C)ccc2C1.Cc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/2C30H33N3O3.C25H26ClF2N3O3.C25H28FN3O3.C25H29N3O2/c1-19(2)20-6-7-22-16-33(11-9-21(22)12-20)18-27-28(35-4)13-23(14-29(27)36-5)26-17-32(3)30(34)25-15-31-10-8-24(25)26;1-19(2)22-8-6-7-20-16-33(12-10-23(20)22)18-27-28(35-4)13-21(14-29(27)36-5)26-17-32(3)30(34)25-15-31-11-9-24(25)26;1-14(2)19-6-8-31(13-25(19,27)28)24(33)22-20(26)9-15(10-21(22)34-4)18-12-30(3)23(32)17-11-29-7-5-16(17)18;1-15(2)16-6-9-29(10-7-16)25(31)23-21(26)11-17(12-22(23)32-4)20-14-28(3)24(30)19-13-27-8-5-18(19)20;1-16(2)18-8-11-28(12-9-18)25(30)20-6-5-19(13-17(20)3)23-15-27(4)24(29)22-14-26-10-7-21(22)23/h6-8,10,12-15,17,19H,9,11,16,18H2,1-5H3;6-9,11,13-15,17,19H,10,12,16,18H2,1-5H3;5,7,9-12,14,19H,6,8,13H2,1-4H3;5,8,11-16H,6-7,9-10H2,1-4H3;5-7,10,13-16,18H,8-9,11-12H2,1-4H3
InChIKeyMVBIGUHWYWKDEC-UHFFFAOYSA-N
XLogP24.29
TPSA297.24 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.21
LogP ≤ 524.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one (CID 165032114) is 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1C(=O)N1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1C(=O)N1CCC(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2c(cccc2C(C)C)C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2cc(C(C)C)ccc2C1.Cc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one?
The InChIKey is MVBIGUHWYWKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H33N3O3.C25H26ClF2N3O3.C25H28FN3O3.C25H29N3O2/c1-19(2)20-6-7-22-16-33(11-9-21(22)12-20)18-27-28(35-4)13-23(14-29(27)36-5)26-17-32(3)30(34)25-15-31-10-8-24(25)26;1-19(2)22-8-6-7-20-16-33(12-10-23(20)22)18-27-28(35-4)13-21(14-29(27)36-5)26-17-32(3)30(34)25-15-31-11-9-24(25)26;1-14(2)19-6-8-31(13-25(19,27)28)24(33)22-20(26)9-15(10-21(22)34-4)18-12-30(3)23(32)17-11-29-7-5-16(17)18;1-15(2)16-6-9-29(10-7-16)25(31)23-21(26)11-17(12-22(23)32-4)20-14-28(3)24(30)19-13-27-8-5-18(19)20;1-16(2)18-8-11-28(12-9-18)25(30)20-6-5-19(13-17(20)3)23-15-27(4)24(29)22-14-26-10-7-21(22)23/h6-8,10,12-15,17,19H,9,11,16,18H2,1-5H3;6-9,11,13-15,17,19H,10,12,16,18H2,1-5H3;5,7,9-12,14,19H,6,8,13H2,1-4H3;5,8,11-16H,6-7,9-10H2,1-4H3;5-7,10,13-16,18H,8-9,11-12H2,1-4H3.
What are the key properties of 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one?
4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one has a molecular weight of 2298.21 g/mol, XLogP of 24.29, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 165032114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).