[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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide

C216H275ClN44O23S4 — CID 158978145

IUPAC[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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide
SMILESC=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OC4CCS(=O)(=O)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OCC(=O)N4CCCC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OCC(=O)N3CCCC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1.CCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1.CCC(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1
InChIInChI=1S/2C30H34N6O2S.2C29H40N6O3.2C28H39N5O4S.C24H27N5O3.C18H22ClN5O2/c1-21(2)31-27-11-16-36(33-27)29(37)34-17-13-30(14-18-34)12-6-15-35(30)20-23-10-9-22(3)19-25(23)38-28-32-24-7-4-5-8-26(24)39-28;1-21(2)31-27-9-14-36(33-27)29(37)34-15-11-30(12-16-34)10-6-13-35(30)20-23-17-22(3)18-24(19-23)38-28-32-25-7-4-5-8-26(25)39-28;1-22(2)30-26-9-16-35(31-26)28(37)33-17-11-29(12-18-33)10-6-15-34(29)20-24-8-7-23(3)19-25(24)38-21-27(36)32-13-4-5-14-32;1-22(2)30-26-7-14-35(31-26)28(37)33-15-9-29(10-16-33)8-6-13-34(29)20-24-17-23(3)18-25(19-24)38-21-27(36)32-11-4-5-12-32;1-21(2)29-26-5-12-33(30-26)27(34)31-13-9-28(10-14-31)8-4-11-32(28)20-23-17-22(3)18-25(19-23)37-24-6-15-38(35,36)16-7-24;1-21(2)29-26-7-14-33(30-26)27(34)31-15-11-28(12-16-31)10-4-13-32(28)20-23-6-5-22(3)19-25(23)37-24-8-17-38(35,36)18-9-24;1-2-23(30)25-22-11-12-29(26-22)24(31)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)32-20-8-4-3-5-9-20;1-2-17(25)20-16-7-8-24(21-16)18(26)23-11-9-22(10-12-23)13-14-3-5-15(19)6-4-14/h4-5,7-11,16,19H,1,6,12-15,17-18,20H2,2-3H3,(H,31,33);4-5,7-9,14,17-19H,1,6,10-13,15-16,20H2,2-3H3,(H,31,33);7-9,16,19H,1,4-6,10-15,17-18,20-21H2,2-3H3,(H,30,31);7,14,17-19H,1,4-6,8-13,15-16,20-21H2,2-3H3,(H,30,31);5,12,17-19,24H,1,4,6-11,13-16,20H2,2-3H3,(H,29,30);5-7,14,19,24H,1,4,8-13,15-18,20H2,2-3H3,(H,29,30);3-12,17H,2,13-16,18H2,1H3,(H,25,26,30);3-8H,2,9-13H2,1H3,(H,20,21,25)
InChIKeyJOQOVISEAXIZDK-UHFFFAOYSA-N
MW4019.58 g/mol
LogP36.61
Rot. Bonds48

About [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide

[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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide (PubChem CID 158978145) has the molecular formula C216H275ClN44O23S4 and a molecular weight of 4019.58 g/mol. Its IUPAC name is [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name[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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide
PubChem CID158978145
Molecular FormulaC216H275ClN44O23S4
Molecular Weight4019.58 g/mol
Exact Mass4016.03
IUPAC Name[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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide
SMILESC=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OC4CCS(=O)(=O)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OCC(=O)N4CCCC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OCC(=O)N3CCCC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1.CCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1.CCC(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1
InChIInChI=1S/2C30H34N6O2S.2C29H40N6O3.2C28H39N5O4S.C24H27N5O3.C18H22ClN5O2/c1-21(2)31-27-11-16-36(33-27)29(37)34-17-13-30(14-18-34)12-6-15-35(30)20-23-10-9-22(3)19-25(23)38-28-32-24-7-4-5-8-26(24)39-28;1-21(2)31-27-9-14-36(33-27)29(37)34-15-11-30(12-16-34)10-6-13-35(30)20-23-17-22(3)18-24(19-23)38-28-32-25-7-4-5-8-26(25)39-28;1-22(2)30-26-9-16-35(31-26)28(37)33-17-11-29(12-18-33)10-6-15-34(29)20-24-8-7-23(3)19-25(24)38-21-27(36)32-13-4-5-14-32;1-22(2)30-26-7-14-35(31-26)28(37)33-15-9-29(10-16-33)8-6-13-34(29)20-24-17-23(3)18-25(19-24)38-21-27(36)32-11-4-5-12-32;1-21(2)29-26-5-12-33(30-26)27(34)31-13-9-28(10-14-31)8-4-11-32(28)20-23-17-22(3)18-25(19-23)37-24-6-15-38(35,36)16-7-24;1-21(2)29-26-7-14-33(30-26)27(34)31-15-11-28(12-16-31)10-4-13-32(28)20-23-6-5-22(3)19-25(23)37-24-8-17-38(35,36)18-9-24;1-2-23(30)25-22-11-12-29(26-22)24(31)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)32-20-8-4-3-5-9-20;1-2-17(25)20-16-7-8-24(21-16)18(26)23-11-9-22(10-12-23)13-14-3-5-15(19)6-4-14/h4-5,7-11,16,19H,1,6,12-15,17-18,20H2,2-3H3,(H,31,33);4-5,7-9,14,17-19H,1,6,10-13,15-16,20H2,2-3H3,(H,31,33);7-9,16,19H,1,4-6,10-15,17-18,20-21H2,2-3H3,(H,30,31);7,14,17-19H,1,4-6,8-13,15-16,20-21H2,2-3H3,(H,30,31);5,12,17-19,24H,1,4,6-11,13-16,20H2,2-3H3,(H,29,30);5-7,14,19,24H,1,4,8-13,15-18,20H2,2-3H3,(H,29,30);3-12,17H,2,13-16,18H2,1H3,(H,25,26,30);3-8H,2,9-13H2,1H3,(H,20,21,25)
InChIKeyJOQOVISEAXIZDK-UHFFFAOYSA-N
XLogP36.61
TPSA660.63 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds48
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004019.58
LogP ≤ 536.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

Analyze [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide?
The IUPAC name of [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide (CID 158978145) is [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide?
The canonical SMILES for [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide is C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OC4CCS(=O)(=O)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OCC(=O)N4CCCC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OCC(=O)N3CCCC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1.CCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1.CCC(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.
What is the InChIKey of [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide?
The InChIKey is JOQOVISEAXIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H34N6O2S.2C29H40N6O3.2C28H39N5O4S.C24H27N5O3.C18H22ClN5O2/c1-21(2)31-27-11-16-36(33-27)29(37)34-17-13-30(14-18-34)12-6-15-35(30)20-23-10-9-22(3)19-25(23)38-28-32-24-7-4-5-8-26(24)39-28;1-21(2)31-27-9-14-36(33-27)29(37)34-15-11-30(12-16-34)10-6-13-35(30)20-23-17-22(3)18-24(19-23)38-28-32-25-7-4-5-8-26(25)39-28;1-22(2)30-26-9-16-35(31-26)28(37)33-17-11-29(12-18-33)10-6-15-34(29)20-24-8-7-23(3)19-25(24)38-21-27(36)32-13-4-5-14-32;1-22(2)30-26-7-14-35(31-26)28(37)33-15-9-29(10-16-33)8-6-13-34(29)20-24-17-23(3)18-25(19-24)38-21-27(36)32-11-4-5-12-32;1-21(2)29-26-5-12-33(30-26)27(34)31-13-9-28(10-14-31)8-4-11-32(28)20-23-17-22(3)18-25(19-23)37-24-6-15-38(35,36)16-7-24;1-21(2)29-26-7-14-33(30-26)27(34)31-15-11-28(12-16-31)10-4-13-32(28)20-23-6-5-22(3)19-25(23)37-24-8-17-38(35,36)18-9-24;1-2-23(30)25-22-11-12-29(26-22)24(31)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)32-20-8-4-3-5-9-20;1-2-17(25)20-16-7-8-24(21-16)18(26)23-11-9-22(10-12-23)13-14-3-5-15(19)6-4-14/h4-5,7-11,16,19H,1,6,12-15,17-18,20H2,2-3H3,(H,31,33);4-5,7-9,14,17-19H,1,6,10-13,15-16,20H2,2-3H3,(H,31,33);7-9,16,19H,1,4-6,10-15,17-18,20-21H2,2-3H3,(H,30,31);7,14,17-19H,1,4-6,8-13,15-16,20-21H2,2-3H3,(H,30,31);5,12,17-19,24H,1,4,6-11,13-16,20H2,2-3H3,(H,29,30);5-7,14,19,24H,1,4,8-13,15-18,20H2,2-3H3,(H,29,30);3-12,17H,2,13-16,18H2,1H3,(H,25,26,30);3-8H,2,9-13H2,1H3,(H,20,21,25).
What are the key properties of [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide?
[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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide has a molecular weight of 4019.58 g/mol, XLogP of 36.61, 48 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [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;N-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide;[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-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;N-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 158978145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).