5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide

C207H198N40O24 — CID 163879185

IUPAC5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CCn1nc(C)cc1-c1cnc([C@@H]2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.CCn1nc(C)cc1-c1cnc([C@H]2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.Cc1cncc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.O=C(Cn1cncn1)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.O=C1CCc2c(Oc3ccc4c(c3)C[C@@H](c3ncc(C5CCCCC5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(C5CCCCC5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C27H23N7O3.2C26H26N6O3.C26H23N5O3.2C26H28N4O3.2C25H22N4O3/c35-26(14-34-17-28-16-31-34)33-25-12-22(8-9-29-25)37-21-6-7-24-19(11-21)10-20(15-36-24)27-30-13-23(32-27)18-4-2-1-3-5-18;2*1-3-32-21(10-15(2)31-32)20-13-28-25(29-20)17-11-16-12-18(4-6-22(16)34-14-17)35-23-8-9-27-26-19(23)5-7-24(33)30-26;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;2*31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16;2*1-16(30)28-24-13-21(9-10-26-24)32-20-7-8-23-18(12-20)11-19(15-31-23)25-27-14-22(29-25)17-5-3-2-4-6-17/h1-9,11-13,16-17,20H,10,14-15H2,(H,30,32)(H,29,33,35);2*4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3,(H,28,29)(H,27,30,33);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32);2*6,8,10-11,13-14,16,18H,1-5,7,9,12,15H2,(H,28,29)(H,27,30,31);2*2-10,12-14,19H,11,15H2,1H3,(H,27,29)(H,26,28,30)/t20-;2*17-;3*18-;2*19-/m01011010/s1
InChIKeyPRPAFGBDLSILAV-BFQGVYAASA-N
MW3630.12 g/mol
LogP37.95
Rot. Bonds39

About 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide

5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 163879185) has the molecular formula C207H198N40O24 and a molecular weight of 3630.12 g/mol. Its IUPAC name is 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID163879185
Molecular FormulaC207H198N40O24
Molecular Weight3630.12 g/mol
Exact Mass3627.55
IUPAC Name5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CCn1nc(C)cc1-c1cnc([C@@H]2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.CCn1nc(C)cc1-c1cnc([C@H]2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.Cc1cncc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.O=C(Cn1cncn1)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.O=C1CCc2c(Oc3ccc4c(c3)C[C@@H](c3ncc(C5CCCCC5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(C5CCCCC5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C27H23N7O3.2C26H26N6O3.C26H23N5O3.2C26H28N4O3.2C25H22N4O3/c35-26(14-34-17-28-16-31-34)33-25-12-22(8-9-29-25)37-21-6-7-24-19(11-21)10-20(15-36-24)27-30-13-23(32-27)18-4-2-1-3-5-18;2*1-3-32-21(10-15(2)31-32)20-13-28-25(29-20)17-11-16-12-18(4-6-22(16)34-14-17)35-23-8-9-27-26-19(23)5-7-24(33)30-26;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;2*31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16;2*1-16(30)28-24-13-21(9-10-26-24)32-20-7-8-23-18(12-20)11-19(15-31-23)25-27-14-22(29-25)17-5-3-2-4-6-17/h1-9,11-13,16-17,20H,10,14-15H2,(H,30,32)(H,29,33,35);2*4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3,(H,28,29)(H,27,30,33);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32);2*6,8,10-11,13-14,16,18H,1-5,7,9,12,15H2,(H,28,29)(H,27,30,31);2*2-10,12-14,19H,11,15H2,1H3,(H,27,29)(H,26,28,30)/t20-;2*17-;3*18-;2*19-/m01011010/s1
InChIKeyPRPAFGBDLSILAV-BFQGVYAASA-N
XLogP37.95
TPSA792.28 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds39
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003630.12
LogP ≤ 537.95
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 163879185) is 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide is CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CCn1nc(C)cc1-c1cnc([C@@H]2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.CCn1nc(C)cc1-c1cnc([C@H]2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.Cc1cncc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.O=C(Cn1cncn1)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.O=C1CCc2c(Oc3ccc4c(c3)C[C@@H](c3ncc(C5CCCCC5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(C5CCCCC5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PRPAFGBDLSILAV-BFQGVYAASA-N. The full InChI is InChI=1S/C27H23N7O3.2C26H26N6O3.C26H23N5O3.2C26H28N4O3.2C25H22N4O3/c35-26(14-34-17-28-16-31-34)33-25-12-22(8-9-29-25)37-21-6-7-24-19(11-21)10-20(15-36-24)27-30-13-23(32-27)18-4-2-1-3-5-18;2*1-3-32-21(10-15(2)31-32)20-13-28-25(29-20)17-11-16-12-18(4-6-22(16)34-14-17)35-23-8-9-27-26-19(23)5-7-24(33)30-26;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;2*31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16;2*1-16(30)28-24-13-21(9-10-26-24)32-20-7-8-23-18(12-20)11-19(15-31-23)25-27-14-22(29-25)17-5-3-2-4-6-17/h1-9,11-13,16-17,20H,10,14-15H2,(H,30,32)(H,29,33,35);2*4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3,(H,28,29)(H,27,30,33);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32);2*6,8,10-11,13-14,16,18H,1-5,7,9,12,15H2,(H,28,29)(H,27,30,31);2*2-10,12-14,19H,11,15H2,1H3,(H,27,29)(H,26,28,30)/t20-;2*17-;3*18-;2*19-/m01011010/s1.
What are the key properties of 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 3630.12 g/mol, XLogP of 37.95, 39 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-cyclohexyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-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;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 163879185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).