[4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

C176H219N43O16S3 — CID 158906816

IUPAC[4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
SMILESC=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OC4CCN(C5CC5)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OC3CCN(C4CC4)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1
InChIInChI=1S/2C27H38N6O2.2C26H28N6O2S.C24H33N5O4S.2C23H27N7O2/c1-20(2)28-26-8-11-33(29-26)27(34)32-14-12-30(13-15-32)19-22-16-21(3)17-25(18-22)35-24-6-9-31(10-7-24)23-4-5-23;1-20(2)28-26-10-13-33(29-26)27(34)32-16-14-30(15-17-32)19-22-5-4-21(3)18-25(22)35-24-8-11-31(12-9-24)23-6-7-23;1-18(2)27-24-8-9-32(29-24)26(33)31-12-10-30(11-13-31)17-20-14-19(3)15-21(16-20)34-25-28-22-6-4-5-7-23(22)35-25;1-18(2)27-24-10-11-32(29-24)26(33)31-14-12-30(13-15-31)17-20-9-8-19(3)16-22(20)34-25-28-21-6-4-5-7-23(21)35-25;1-18(2)25-23-6-9-29(26-23)24(30)28-12-10-27(11-13-28)17-20-5-4-19(3)16-22(20)33-21-7-14-34(31,32)15-8-21;1-17(2)26-22-4-5-30(27-22)23(31)29-8-6-28(7-9-29)15-19-10-18(3)11-20(12-19)32-21-13-24-16-25-14-21;1-17(2)26-22-6-7-30(27-22)23(31)29-10-8-28(9-11-29)15-19-5-4-18(3)12-21(19)32-20-13-24-16-25-14-20/h8,11,16-18,23-24H,1,4-7,9-10,12-15,19H2,2-3H3,(H,28,29);4-5,10,13,18,23-24H,1,6-9,11-12,14-17,19H2,2-3H3,(H,28,29);4-9,14-16H,1,10-13,17H2,2-3H3,(H,27,29);4-11,16H,1,12-15,17H2,2-3H3,(H,27,29);4-6,9,16,21H,1,7-8,10-15,17H2,2-3H3,(H,25,26);4-5,10-14,16H,1,6-9,15H2,2-3H3,(H,26,27);4-7,12-14,16H,1,8-11,15H2,2-3H3,(H,26,27)
InChIKeyJGDLZRGCAXVLFK-UHFFFAOYSA-N
MW3289.17 g/mol
LogP28.40
Rot. Bonds44

About [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

[4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (PubChem CID 158906816) has the molecular formula C176H219N43O16S3 and a molecular weight of 3289.17 g/mol. Its IUPAC name is [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
PubChem CID158906816
Molecular FormulaC176H219N43O16S3
Molecular Weight3289.17 g/mol
Exact Mass3286.68
IUPAC Name[4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
SMILESC=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OC4CCN(C5CC5)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OC3CCN(C4CC4)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1
InChIInChI=1S/2C27H38N6O2.2C26H28N6O2S.C24H33N5O4S.2C23H27N7O2/c1-20(2)28-26-8-11-33(29-26)27(34)32-14-12-30(13-15-32)19-22-16-21(3)17-25(18-22)35-24-6-9-31(10-7-24)23-4-5-23;1-20(2)28-26-10-13-33(29-26)27(34)32-16-14-30(15-17-32)19-22-5-4-21(3)18-25(22)35-24-8-11-31(12-9-24)23-6-7-23;1-18(2)27-24-8-9-32(29-24)26(33)31-12-10-30(11-13-31)17-20-14-19(3)15-21(16-20)34-25-28-22-6-4-5-7-23(22)35-25;1-18(2)27-24-10-11-32(29-24)26(33)31-14-12-30(13-15-31)17-20-9-8-19(3)16-22(20)34-25-28-21-6-4-5-7-23(21)35-25;1-18(2)25-23-6-9-29(26-23)24(30)28-12-10-27(11-13-28)17-20-5-4-19(3)16-22(20)33-21-7-14-34(31,32)15-8-21;1-17(2)26-22-4-5-30(27-22)23(31)29-8-6-28(7-9-29)15-19-10-18(3)11-20(12-19)32-21-13-24-16-25-14-21;1-17(2)26-22-6-7-30(27-22)23(31)29-10-8-28(9-11-29)15-19-5-4-18(3)12-21(19)32-20-13-24-16-25-14-20/h8,11,16-18,23-24H,1,4-7,9-10,12-15,19H2,2-3H3,(H,28,29);4-5,10,13,18,23-24H,1,6-9,11-12,14-17,19H2,2-3H3,(H,28,29);4-9,14-16H,1,10-13,17H2,2-3H3,(H,27,29);4-11,16H,1,12-15,17H2,2-3H3,(H,27,29);4-6,9,16,21H,1,7-8,10-15,17H2,2-3H3,(H,25,26);4-5,10-14,16H,1,6-9,15H2,2-3H3,(H,26,27);4-7,12-14,16H,1,8-11,15H2,2-3H3,(H,26,27)
InChIKeyJGDLZRGCAXVLFK-UHFFFAOYSA-N
XLogP28.40
TPSA556.37 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds44
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003289.17
LogP ≤ 528.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone with MolForge

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Related Compounds

[4-[[3-(1,3-Benzothiazol-2-yloxy)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 158827831
[4-[[2-(1,3-Benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[3-(prop-1-en-2-ylamino)pyrazol-1-yl]-[4-[[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 160519708
[1-[[2-(1,3-Benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 158024131
[1-[[2-(1-Cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 158562032
CID 158978145
CID 158978145
8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 160520737

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
The IUPAC name of [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (CID 158906816) is [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.
What is the SMILES notation for [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
The canonical SMILES for [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OC4CCN(C5CC5)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OC3CCN(C4CC4)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1.
What is the InChIKey of [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
The InChIKey is JGDLZRGCAXVLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H38N6O2.2C26H28N6O2S.C24H33N5O4S.2C23H27N7O2/c1-20(2)28-26-8-11-33(29-26)27(34)32-14-12-30(13-15-32)19-22-16-21(3)17-25(18-22)35-24-6-9-31(10-7-24)23-4-5-23;1-20(2)28-26-10-13-33(29-26)27(34)32-16-14-30(15-17-32)19-22-5-4-21(3)18-25(22)35-24-8-11-31(12-9-24)23-6-7-23;1-18(2)27-24-8-9-32(29-24)26(33)31-12-10-30(11-13-31)17-20-14-19(3)15-21(16-20)34-25-28-22-6-4-5-7-23(22)35-25;1-18(2)27-24-10-11-32(29-24)26(33)31-14-12-30(13-15-31)17-20-9-8-19(3)16-22(20)34-25-28-21-6-4-5-7-23(21)35-25;1-18(2)25-23-6-9-29(26-23)24(30)28-12-10-27(11-13-28)17-20-5-4-19(3)16-22(20)33-21-7-14-34(31,32)15-8-21;1-17(2)26-22-4-5-30(27-22)23(31)29-8-6-28(7-9-29)15-19-10-18(3)11-20(12-19)32-21-13-24-16-25-14-21;1-17(2)26-22-6-7-30(27-22)23(31)29-10-8-28(9-11-29)15-19-5-4-18(3)12-21(19)32-20-13-24-16-25-14-20/h8,11,16-18,23-24H,1,4-7,9-10,12-15,19H2,2-3H3,(H,28,29);4-5,10,13,18,23-24H,1,6-9,11-12,14-17,19H2,2-3H3,(H,28,29);4-9,14-16H,1,10-13,17H2,2-3H3,(H,27,29);4-11,16H,1,12-15,17H2,2-3H3,(H,27,29);4-6,9,16,21H,1,7-8,10-15,17H2,2-3H3,(H,25,26);4-5,10-14,16H,1,6-9,15H2,2-3H3,(H,26,27);4-7,12-14,16H,1,8-11,15H2,2-3H3,(H,26,27).
What are the key properties of [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
[4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone has a molecular weight of 3289.17 g/mol, XLogP of 28.40, 44 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1,1-dioxothian-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 158906816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).