5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C164H149F2N29O19 — CID 163892546

IUPAC5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.CC(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cncc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccnc(C6CC6)c5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cncc(C(F)F)c5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C29H29N5O3.C28H25N5O3.C28H27N5O3.C27H24N4O4.C26H21F2N5O3.C26H23N5O3/c1-29(2,3)25-14-17(8-10-30-25)22-15-32-27(33-22)19-12-18-13-20(4-6-23(18)36-16-19)37-24-9-11-31-28-21(24)5-7-26(35)34-28;34-26-6-4-21-25(8-10-30-28(21)33-26)36-20-3-5-24-18(12-20)11-19(15-35-24)27-31-14-23(32-27)17-7-9-29-22(13-17)16-1-2-16;1-16(2)22-13-17(7-9-29-22)23-14-31-27(32-23)19-11-18-12-20(3-5-24(18)35-15-19)36-25-8-10-30-28-21(25)4-6-26(34)33-28;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;27-24(28)16-8-15(10-29-11-16)20-12-31-25(32-20)17-7-14-9-18(1-3-21(14)35-13-17)36-22-5-6-30-26-19(22)2-4-23(34)33-26;1-15-8-17(12-27-11-15)21-13-29-25(30-21)18-9-16-10-19(2-4-22(16)33-14-18)34-23-6-7-28-26-20(23)3-5-24(32)31-26/h4,6,8-11,13-15,19H,5,7,12,16H2,1-3H3,(H,32,33)(H,31,34,35);3,5,7-10,12-14,16,19H,1-2,4,6,11,15H2,(H,31,32)(H,30,33,34);3,5,7-10,12-14,16,19H,4,6,11,15H2,1-2H3,(H,31,32)(H,30,33,34);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);1,3,5-6,8-12,17,24H,2,4,7,13H2,(H,31,32)(H,30,33,34);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyQCUBZDFRXPHEEK-UHFFFAOYSA-N
MW2868.18 g/mol
LogP30.73
Rot. Bonds28

About 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163892546) has the molecular formula C164H149F2N29O19 and a molecular weight of 2868.18 g/mol. Its IUPAC name is 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163892546
Molecular FormulaC164H149F2N29O19
Molecular Weight2868.18 g/mol
Exact Mass2866.16
IUPAC Name5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.CC(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cncc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccnc(C6CC6)c5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cncc(C(F)F)c5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C29H29N5O3.C28H25N5O3.C28H27N5O3.C27H24N4O4.C26H21F2N5O3.C26H23N5O3/c1-29(2,3)25-14-17(8-10-30-25)22-15-32-27(33-22)19-12-18-13-20(4-6-23(18)36-16-19)37-24-9-11-31-28-21(24)5-7-26(35)34-28;34-26-6-4-21-25(8-10-30-28(21)33-26)36-20-3-5-24-18(12-20)11-19(15-35-24)27-31-14-23(32-27)17-7-9-29-22(13-17)16-1-2-16;1-16(2)22-13-17(7-9-29-22)23-14-31-27(32-23)19-11-18-12-20(3-5-24(18)35-15-19)36-25-8-10-30-28-21(25)4-6-26(34)33-28;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;27-24(28)16-8-15(10-29-11-16)20-12-31-25(32-20)17-7-14-9-18(1-3-21(14)35-13-17)36-22-5-6-30-26-19(22)2-4-23(34)33-26;1-15-8-17(12-27-11-15)21-13-29-25(30-21)18-9-16-10-19(2-4-22(16)33-14-18)34-23-6-7-28-26-20(23)3-5-24(32)31-26/h4,6,8-11,13-15,19H,5,7,12,16H2,1-3H3,(H,32,33)(H,31,34,35);3,5,7-10,12-14,16,19H,1-2,4,6,11,15H2,(H,31,32)(H,30,33,34);3,5,7-10,12-14,16,19H,4,6,11,15H2,1-2H3,(H,31,32)(H,30,33,34);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);1,3,5-6,8-12,17,24H,2,4,7,13H2,(H,31,32)(H,30,33,34);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyQCUBZDFRXPHEEK-UHFFFAOYSA-N
XLogP30.73
TPSA608.46 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002868.18
LogP ≤ 530.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163892546) is 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC(C)(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.CC(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cncc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccnc(C6CC6)c5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cncc(C(F)F)c5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QCUBZDFRXPHEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3.C28H25N5O3.C28H27N5O3.C27H24N4O4.C26H21F2N5O3.C26H23N5O3/c1-29(2,3)25-14-17(8-10-30-25)22-15-32-27(33-22)19-12-18-13-20(4-6-23(18)36-16-19)37-24-9-11-31-28-21(24)5-7-26(35)34-28;34-26-6-4-21-25(8-10-30-28(21)33-26)36-20-3-5-24-18(12-20)11-19(15-35-24)27-31-14-23(32-27)17-7-9-29-22(13-17)16-1-2-16;1-16(2)22-13-17(7-9-29-22)23-14-31-27(32-23)19-11-18-12-20(3-5-24(18)35-15-19)36-25-8-10-30-28-21(25)4-6-26(34)33-28;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;27-24(28)16-8-15(10-29-11-16)20-12-31-25(32-20)17-7-14-9-18(1-3-21(14)35-13-17)36-22-5-6-30-26-19(22)2-4-23(34)33-26;1-15-8-17(12-27-11-15)21-13-29-25(30-21)18-9-16-10-19(2-4-22(16)33-14-18)34-23-6-7-28-26-20(23)3-5-24(32)31-26/h4,6,8-11,13-15,19H,5,7,12,16H2,1-3H3,(H,32,33)(H,31,34,35);3,5,7-10,12-14,16,19H,1-2,4,6,11,15H2,(H,31,32)(H,30,33,34);3,5,7-10,12-14,16,19H,4,6,11,15H2,1-2H3,(H,31,32)(H,30,33,34);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);1,3,5-6,8-12,17,24H,2,4,7,13H2,(H,31,32)(H,30,33,34);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 2868.18 g/mol, XLogP of 30.73, 28 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-cyclopropyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-(difluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163892546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).