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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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

C209H198N42O25 — CID 163798034

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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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.O=C(CN1CC(O)C1)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ncn1.O=C(Cn1cncn1)Nc1cc(Oc2ccc3c(c2)C[C@@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.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/2C27H23N7O3.C27H26N6O4.C26H26N6O3.2C26H28N4O3.2C25H22N4O3/c2*35-26(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;34-20-12-33(13-20)14-25(35)32-24-10-26(30-16-29-24)37-21-6-7-23-18(9-21)8-19(15-36-23)27-28-11-22(31-27)17-4-2-1-3-5-17;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;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/h2*1-9,11-13,16-17,20H,10,14-15H2,(H,30,32)(H,29,33,35);1-7,9-11,16,19-20,34H,8,12-15H2,(H,28,31)(H,29,30,32,35);4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3,(H,28,29)(H,27,30,33);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)/t2*20-;19-;17-;2*18-;2*19-/m10011010/s1
InChIKeyNCNSHARVHSMSKA-SKKYFPLVSA-N
MW3698.15 g/mol
LogP36.19
Rot. Bonds44

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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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 163798034) has the molecular formula C209H198N42O25 and a molecular weight of 3698.15 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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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 CID163798034
Molecular FormulaC209H198N42O25
Molecular Weight3698.15 g/mol
Exact Mass3695.55
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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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.O=C(CN1CC(O)C1)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ncn1.O=C(Cn1cncn1)Nc1cc(Oc2ccc3c(c2)C[C@@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.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/2C27H23N7O3.C27H26N6O4.C26H26N6O3.2C26H28N4O3.2C25H22N4O3/c2*35-26(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;34-20-12-33(13-20)14-25(35)32-24-10-26(30-16-29-24)37-21-6-7-23-18(9-21)8-19(15-36-23)27-28-11-22(31-27)17-4-2-1-3-5-17;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;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/h2*1-9,11-13,16-17,20H,10,14-15H2,(H,30,32)(H,29,33,35);1-7,9-11,16,19-20,34H,8,12-15H2,(H,28,31)(H,29,30,32,35);4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3,(H,28,29)(H,27,30,33);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)/t2*20-;19-;17-;2*18-;2*19-/m10011010/s1
InChIKeyNCNSHARVHSMSKA-SKKYFPLVSA-N
XLogP36.19
TPSA828.64 Ų
H-Bond Donors17
H-Bond Acceptors51
Rotatable Bonds44
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003698.15
LogP ≤ 536.19
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1051

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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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 163798034) 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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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.O=C(CN1CC(O)C1)Nc1cc(Oc2ccc3c(c2)C[C@H](c2ncc(-c4ccccc4)[nH]2)CO3)ncn1.O=C(Cn1cncn1)Nc1cc(Oc2ccc3c(c2)C[C@@H](c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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 NCNSHARVHSMSKA-SKKYFPLVSA-N. The full InChI is InChI=1S/2C27H23N7O3.C27H26N6O4.C26H26N6O3.2C26H28N4O3.2C25H22N4O3/c2*35-26(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;34-20-12-33(13-20)14-25(35)32-24-10-26(30-16-29-24)37-21-6-7-23-18(9-21)8-19(15-36-23)27-28-11-22(31-27)17-4-2-1-3-5-17;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;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/h2*1-9,11-13,16-17,20H,10,14-15H2,(H,30,32)(H,29,33,35);1-7,9-11,16,19-20,34H,8,12-15H2,(H,28,31)(H,29,30,32,35);4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3,(H,28,29)(H,27,30,33);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)/t2*20-;19-;17-;2*18-;2*19-/m10011010/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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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 3698.15 g/mol, XLogP of 36.19, 44 rotatable bonds, 17 hydrogen bond donors, and 51 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-[[(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;2-(3-hydroxyazetidin-1-yl)-N-[6-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]acetamide;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;N-[4-[[(3S)-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 163798034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).