2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone

C166H158ClN55O16 — CID 158815166

IUPAC2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1nnc(-c2ccc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(Cc1nnc(-c2cnc(NC3CC=C(c4cccc(Cl)c4)CC3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CC=N2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2[nH]c(=O)ccc2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2nccn2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ncnc2C1.O=C1CC2=C(CCN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)C2)N1
InChIInChI=1S/C25H24ClN9O2.C25H23N7O3.C24H23N7O3.C24H23N7O2.2C23H22N8O2.C22H21N9O2/c26-18-3-1-2-16(10-18)15-4-6-19(7-5-15)29-25-27-12-17(13-28-25)24-33-32-22(37-24)11-23(36)35-9-8-20-21(14-35)31-34-30-20;33-21-6-5-17-14-32(8-7-20(17)29-21)23(34)11-22-30-31-24(35-22)18-12-26-25(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;32-20-9-16-13-31(6-5-19(16)28-20)22(33)10-21-29-30-23(34-21)17-11-25-24(26-12-17)27-18-7-14-3-1-2-4-15(14)8-18;32-22(31-8-6-20-17(14-31)5-7-25-20)11-21-29-30-23(33-21)18-12-26-24(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;32-21(31-7-5-19-24-6-8-30(19)14-31)11-20-28-29-22(33-20)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18;32-22(31-8-7-18-19(13-31)27-30-26-18)11-21-28-29-23(33-21)16-5-6-20(24-12-16)25-17-9-14-3-1-2-4-15(14)10-17;32-20(30-5-6-31-18(12-30)25-13-26-31)9-19-28-29-21(33-19)16-10-23-22(24-11-16)27-17-7-14-3-1-2-4-15(14)8-17/h1-4,10,12-13,19H,5-9,11,14H2,(H,27,28,29)(H,30,31,34);1-6,12-13,19H,7-11,14H2,(H,29,33)(H,26,27,28);1-4,11-12,18H,5-10,13H2,(H,28,32)(H,25,26,27);1-4,7,12-13,19H,5-6,8-11,14H2,(H,26,27,28);1-4,6,8,12-13,18H,5,7,9-11,14H2,(H,25,26,27);1-6,12,17H,7-11,13H2,(H,24,25)(H,26,27,30);1-4,10-11,13,17H,5-9,12H2,(H,23,24,27)
InChIKeyIVEGEXMUIGAYTI-UHFFFAOYSA-N
MW3214.91 g/mol
LogP14.79
Rot. Bonds36

About 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone

2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone (PubChem CID 158815166) has the molecular formula C166H158ClN55O16 and a molecular weight of 3214.91 g/mol. Its IUPAC name is 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
PubChem CID158815166
Molecular FormulaC166H158ClN55O16
Molecular Weight3214.91 g/mol
Exact Mass3212.29
IUPAC Name2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1nnc(-c2ccc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(Cc1nnc(-c2cnc(NC3CC=C(c4cccc(Cl)c4)CC3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CC=N2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2[nH]c(=O)ccc2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2nccn2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ncnc2C1.O=C1CC2=C(CCN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)C2)N1
InChIInChI=1S/C25H24ClN9O2.C25H23N7O3.C24H23N7O3.C24H23N7O2.2C23H22N8O2.C22H21N9O2/c26-18-3-1-2-16(10-18)15-4-6-19(7-5-15)29-25-27-12-17(13-28-25)24-33-32-22(37-24)11-23(36)35-9-8-20-21(14-35)31-34-30-20;33-21-6-5-17-14-32(8-7-20(17)29-21)23(34)11-22-30-31-24(35-22)18-12-26-25(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;32-20-9-16-13-31(6-5-19(16)28-20)22(33)10-21-29-30-23(34-21)17-11-25-24(26-12-17)27-18-7-14-3-1-2-4-15(14)8-18;32-22(31-8-6-20-17(14-31)5-7-25-20)11-21-29-30-23(33-21)18-12-26-24(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;32-21(31-7-5-19-24-6-8-30(19)14-31)11-20-28-29-22(33-20)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18;32-22(31-8-7-18-19(13-31)27-30-26-18)11-21-28-29-23(33-21)16-5-6-20(24-12-16)25-17-9-14-3-1-2-4-15(14)10-17;32-20(30-5-6-31-18(12-30)25-13-26-31)9-19-28-29-21(33-19)16-10-23-22(24-11-16)27-17-7-14-3-1-2-4-15(14)8-17/h1-4,10,12-13,19H,5-9,11,14H2,(H,27,28,29)(H,30,31,34);1-6,12-13,19H,7-11,14H2,(H,29,33)(H,26,27,28);1-4,11-12,18H,5-10,13H2,(H,28,32)(H,25,26,27);1-4,7,12-13,19H,5-6,8-11,14H2,(H,26,27,28);1-4,6,8,12-13,18H,5,7,9-11,14H2,(H,25,26,27);1-6,12,17H,7-11,13H2,(H,24,25)(H,26,27,30);1-4,10-11,13,17H,5-9,12H2,(H,23,24,27)
InChIKeyIVEGEXMUIGAYTI-UHFFFAOYSA-N
XLogP14.79
TPSA872.38 Ų
H-Bond Donors11
H-Bond Acceptors60
Rotatable Bonds36
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003214.91
LogP ≤ 514.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1060

Analyze 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone (CID 158815166) is 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone is O=C(Cc1nnc(-c2ccc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(Cc1nnc(-c2cnc(NC3CC=C(c4cccc(Cl)c4)CC3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CC=N2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2[nH]c(=O)ccc2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2nccn2C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ncnc2C1.O=C1CC2=C(CCN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)C2)N1.
What is the InChIKey of 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is IVEGEXMUIGAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN9O2.C25H23N7O3.C24H23N7O3.C24H23N7O2.2C23H22N8O2.C22H21N9O2/c26-18-3-1-2-16(10-18)15-4-6-19(7-5-15)29-25-27-12-17(13-28-25)24-33-32-22(37-24)11-23(36)35-9-8-20-21(14-35)31-34-30-20;33-21-6-5-17-14-32(8-7-20(17)29-21)23(34)11-22-30-31-24(35-22)18-12-26-25(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;32-20-9-16-13-31(6-5-19(16)28-20)22(33)10-21-29-30-23(34-21)17-11-25-24(26-12-17)27-18-7-14-3-1-2-4-15(14)8-18;32-22(31-8-6-20-17(14-31)5-7-25-20)11-21-29-30-23(33-21)18-12-26-24(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;32-21(31-7-5-19-24-6-8-30(19)14-31)11-20-28-29-22(33-20)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18;32-22(31-8-7-18-19(13-31)27-30-26-18)11-21-28-29-23(33-21)16-5-6-20(24-12-16)25-17-9-14-3-1-2-4-15(14)10-17;32-20(30-5-6-31-18(12-30)25-13-26-31)9-19-28-29-21(33-19)16-10-23-22(24-11-16)27-17-7-14-3-1-2-4-15(14)8-17/h1-4,10,12-13,19H,5-9,11,14H2,(H,27,28,29)(H,30,31,34);1-6,12-13,19H,7-11,14H2,(H,29,33)(H,26,27,28);1-4,11-12,18H,5-10,13H2,(H,28,32)(H,25,26,27);1-4,7,12-13,19H,5-6,8-11,14H2,(H,26,27,28);1-4,6,8,12-13,18H,5,7,9-11,14H2,(H,25,26,27);1-6,12,17H,7-11,13H2,(H,24,25)(H,26,27,30);1-4,10-11,13,17H,5-9,12H2,(H,23,24,27).
What are the key properties of 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 3214.91 g/mol, XLogP of 14.79, 36 rotatable bonds, 11 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[[4-(3-chlorophenyl)cyclohex-3-en-1-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;1-(7,8-dihydro-5H-imidazo[1,2-c]pyrimidin-6-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[5-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 158815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).