N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide

C135H183N37O22S8 — CID 159963477

IUPACN-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(NC(=C)C)n3)CC2)cc1.CC(=O)N1CC2CCC(C1)N2c1cc(C)ccc1CN1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(-c2nccs2)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2C3CCC2CN(S(C)(=O)=O)C3)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2C3CCC2COC3)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C25H35N7O4S.C24H35N7O5S2.C23H34N6O5S2.C23H32N6O4S.C20H24N6O3S2.C20H23N5O/c1-18-4-5-20(23(14-18)32-21-6-7-22(32)17-30(16-21)19(2)33)15-28-10-12-29(13-11-28)25(34)31-9-8-24(26-31)27-37(3,35)36;1-18-4-5-19(22(14-18)31-20-6-7-21(31)17-29(16-20)38(3,35)36)15-27-10-12-28(13-11-27)24(32)30-9-8-23(25-30)26-37(2,33)34;1-18-4-5-19(21(16-18)27-9-6-20(7-10-27)35(2,31)32)17-26-12-14-28(15-13-26)23(30)29-11-8-22(24-29)25-36(3,33)34;1-17-3-4-18(21(13-17)29-19-5-6-20(29)16-33-15-19)14-26-9-11-27(12-10-26)23(30)28-8-7-22(24-28)25-34(2,31)32;1-15-3-4-16(17(13-15)19-21-6-12-30-19)14-24-8-10-25(11-9-24)20(27)26-7-5-18(22-26)23-31(2,28)29;1-4-17-5-7-18(8-6-17)15-23-11-13-24(14-12-23)20(26)25-10-9-19(22-25)21-16(2)3/h4-5,8-9,14,21-22H,6-7,10-13,15-17H2,1-3H3,(H,26,27);4-5,8-9,14,20-21H,6-7,10-13,15-17H2,1-3H3,(H,25,26);4-5,8,11,16,20H,6-7,9-10,12-15,17H2,1-3H3,(H,24,25);3-4,7-8,13,19-20H,5-6,9-12,14-16H2,1-2H3,(H,24,25);3-7,12-13H,8-11,14H2,1-2H3,(H,22,23);1,5-10H,2,11-15H2,3H3,(H,21,22)
InChIKeyODPWJAWMCNVAEU-UHFFFAOYSA-N
MW2932.72 g/mol
LogP10.66
Rot. Bonds31

About N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide

N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 159963477) has the molecular formula C135H183N37O22S8 and a molecular weight of 2932.72 g/mol. Its IUPAC name is N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
PubChem CID159963477
Molecular FormulaC135H183N37O22S8
Molecular Weight2932.72 g/mol
Exact Mass2930.21
IUPAC NameN-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(NC(=C)C)n3)CC2)cc1.CC(=O)N1CC2CCC(C1)N2c1cc(C)ccc1CN1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(-c2nccs2)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2C3CCC2CN(S(C)(=O)=O)C3)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2C3CCC2COC3)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C25H35N7O4S.C24H35N7O5S2.C23H34N6O5S2.C23H32N6O4S.C20H24N6O3S2.C20H23N5O/c1-18-4-5-20(23(14-18)32-21-6-7-22(32)17-30(16-21)19(2)33)15-28-10-12-29(13-11-28)25(34)31-9-8-24(26-31)27-37(3,35)36;1-18-4-5-19(22(14-18)31-20-6-7-21(31)17-29(16-20)38(3,35)36)15-27-10-12-28(13-11-27)24(32)30-9-8-23(25-30)26-37(2,33)34;1-18-4-5-19(21(16-18)27-9-6-20(7-10-27)35(2,31)32)17-26-12-14-28(15-13-26)23(30)29-11-8-22(24-29)25-36(3,33)34;1-17-3-4-18(21(13-17)29-19-5-6-20(29)16-33-15-19)14-26-9-11-27(12-10-26)23(30)28-8-7-22(24-28)25-34(2,31)32;1-15-3-4-16(17(13-15)19-21-6-12-30-19)14-24-8-10-25(11-9-24)20(27)26-7-5-18(22-26)23-31(2,28)29;1-4-17-5-7-18(8-6-17)15-23-11-13-24(14-12-23)20(26)25-10-9-19(22-25)21-16(2)3/h4-5,8-9,14,21-22H,6-7,10-13,15-17H2,1-3H3,(H,26,27);4-5,8-9,14,20-21H,6-7,10-13,15-17H2,1-3H3,(H,25,26);4-5,8,11,16,20H,6-7,9-10,12-15,17H2,1-3H3,(H,24,25);3-4,7-8,13,19-20H,5-6,9-12,14-16H2,1-2H3,(H,24,25);3-7,12-13H,8-11,14H2,1-2H3,(H,22,23);1,5-10H,2,11-15H2,3H3,(H,21,22)
InChIKeyODPWJAWMCNVAEU-UHFFFAOYSA-N
XLogP10.66
TPSA618.01 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds31
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.72
LogP ≤ 510.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide (CID 159963477) is N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide is C#Cc1ccc(CN2CCN(C(=O)n3ccc(NC(=C)C)n3)CC2)cc1.CC(=O)N1CC2CCC(C1)N2c1cc(C)ccc1CN1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(-c2nccs2)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2C3CCC2CN(S(C)(=O)=O)C3)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2C3CCC2COC3)c1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c(N2CCC(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is ODPWJAWMCNVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O4S.C24H35N7O5S2.C23H34N6O5S2.C23H32N6O4S.C20H24N6O3S2.C20H23N5O/c1-18-4-5-20(23(14-18)32-21-6-7-22(32)17-30(16-21)19(2)33)15-28-10-12-29(13-11-28)25(34)31-9-8-24(26-31)27-37(3,35)36;1-18-4-5-19(22(14-18)31-20-6-7-21(31)17-29(16-20)38(3,35)36)15-27-10-12-28(13-11-27)24(32)30-9-8-23(25-30)26-37(2,33)34;1-18-4-5-19(21(16-18)27-9-6-20(7-10-27)35(2,31)32)17-26-12-14-28(15-13-26)23(30)29-11-8-22(24-29)25-36(3,33)34;1-17-3-4-18(21(13-17)29-19-5-6-20(29)16-33-15-19)14-26-9-11-27(12-10-26)23(30)28-8-7-22(24-28)25-34(2,31)32;1-15-3-4-16(17(13-15)19-21-6-12-30-19)14-24-8-10-25(11-9-24)20(27)26-7-5-18(22-26)23-31(2,28)29;1-4-17-5-7-18(8-6-17)15-23-11-13-24(14-12-23)20(26)25-10-9-19(22-25)21-16(2)3/h4-5,8-9,14,21-22H,6-7,10-13,15-17H2,1-3H3,(H,26,27);4-5,8-9,14,20-21H,6-7,10-13,15-17H2,1-3H3,(H,25,26);4-5,8,11,16,20H,6-7,9-10,12-15,17H2,1-3H3,(H,24,25);3-4,7-8,13,19-20H,5-6,9-12,14-16H2,1-2H3,(H,24,25);3-7,12-13H,8-11,14H2,1-2H3,(H,22,23);1,5-10H,2,11-15H2,3H3,(H,21,22).
What are the key properties of N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 2932.72 g/mol, XLogP of 10.66, 31 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[2-(3-acetyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-2-(3-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-2-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 159963477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).