1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C139H180Cl2F2N30O14 — CID 163830951

IUPAC1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(F)(F)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCC[C@@H]3C)CC2)n1
InChIInChI=1S/C24H31N5O3.C24H33N5O2.C23H28ClN5O3.C23H29F2N5O2.C23H31N5O2.C22H28ClN5O2/c1-17-3-4-19(23(11-17)28-13-20-15-32-16-21(20)14-28)12-26-7-9-27(10-8-26)24(31)29-6-5-22(25-29)18(2)30;1-18-7-8-21(23(16-18)28-10-5-4-6-19(28)2)17-26-12-14-27(15-13-26)24(31)29-11-9-22(25-29)20(3)30;1-16(30)21-6-7-28(25-21)23(31)27-10-8-26(9-11-27)13-17-2-3-18(24)12-22(17)29-19-4-5-20(29)15-32-14-19;1-17-3-4-19(21(15-17)28-9-6-23(24,25)7-10-28)16-27-11-13-29(14-12-27)22(32)30-8-5-20(26-30)18(2)31;1-17-6-7-20(22(15-17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)23(30)28-10-8-21(24-28)19(3)29;1-16-4-3-8-27(16)21-14-19(23)6-5-18(21)15-25-10-12-26(13-11-25)22(30)28-9-7-20(24-28)17(2)29/h3-6,11,20-21H,7-10,12-16H2,1-2H3;7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-3,6-7,12,19-20H,4-5,8-11,13-15H2,1H3;3-5,8,15H,6-7,9-14,16H2,1-2H3;6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3;5-7,9,14,16H,3-4,8,10-13,15H2,1-2H3/t;19-;;;18-;16-/m.1..00/s1
InChIKeyODOYTIJRUVTWHR-ZXRXRBMZSA-N
MW2604.07 g/mol
LogP18.81
Rot. Bonds24

About 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163830951) has the molecular formula C139H180Cl2F2N30O14 and a molecular weight of 2604.07 g/mol. Its IUPAC name is 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163830951
Molecular FormulaC139H180Cl2F2N30O14
Molecular Weight2604.07 g/mol
Exact Mass2601.36
IUPAC Name1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(F)(F)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCC[C@@H]3C)CC2)n1
InChIInChI=1S/C24H31N5O3.C24H33N5O2.C23H28ClN5O3.C23H29F2N5O2.C23H31N5O2.C22H28ClN5O2/c1-17-3-4-19(23(11-17)28-13-20-15-32-16-21(20)14-28)12-26-7-9-27(10-8-26)24(31)29-6-5-22(25-29)18(2)30;1-18-7-8-21(23(16-18)28-10-5-4-6-19(28)2)17-26-12-14-27(15-13-26)24(31)29-11-9-22(25-29)20(3)30;1-16(30)21-6-7-28(25-21)23(31)27-10-8-26(9-11-27)13-17-2-3-18(24)12-22(17)29-19-4-5-20(29)15-32-14-19;1-17-3-4-19(21(15-17)28-9-6-23(24,25)7-10-28)16-27-11-13-29(14-12-27)22(32)30-8-5-20(26-30)18(2)31;1-17-6-7-20(22(15-17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)23(30)28-10-8-21(24-28)19(3)29;1-16-4-3-8-27(16)21-14-19(23)6-5-18(21)15-25-10-12-26(13-11-25)22(30)28-9-7-20(24-28)17(2)29/h3-6,11,20-21H,7-10,12-16H2,1-2H3;7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-3,6-7,12,19-20H,4-5,8-11,13-15H2,1H3;3-5,8,15H,6-7,9-14,16H2,1-2H3;6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3;5-7,9,14,16H,3-4,8,10-13,15H2,1-2H3/t;19-;;;18-;16-/m.1..00/s1
InChIKeyODOYTIJRUVTWHR-ZXRXRBMZSA-N
XLogP18.81
TPSA388.54 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002604.07
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 161243664
1-[1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 160842378
N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(2,5-dimethylpyrrolidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
CID 159627867
1-[1-[1-[(4-chloro-2-piperidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 157173312
1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid;ethane;1,1,1-trifluoroethane
CID 142482875
1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 159284869
N-[1-[4-[(4-chloro-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
CID 135332264
[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-[3-(methylsulfanylamino)pyrazol-1-yl]methanone
CID 145315810
[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-chloro-2-morpholin-4-ylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 159939290
N-[1-[4-[[4-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
CID 135332034
[4-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 158518240
[4-[(4-methyl-2-piperidin-1-ylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 158132179

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163830951) is 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(F)(F)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCC[C@@H]3C)CC2)n1.
What is the InChIKey of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is ODOYTIJRUVTWHR-ZXRXRBMZSA-N. The full InChI is InChI=1S/C24H31N5O3.C24H33N5O2.C23H28ClN5O3.C23H29F2N5O2.C23H31N5O2.C22H28ClN5O2/c1-17-3-4-19(23(11-17)28-13-20-15-32-16-21(20)14-28)12-26-7-9-27(10-8-26)24(31)29-6-5-22(25-29)18(2)30;1-18-7-8-21(23(16-18)28-10-5-4-6-19(28)2)17-26-12-14-27(15-13-26)24(31)29-11-9-22(25-29)20(3)30;1-16(30)21-6-7-28(25-21)23(31)27-10-8-26(9-11-27)13-17-2-3-18(24)12-22(17)29-19-4-5-20(29)15-32-14-19;1-17-3-4-19(21(15-17)28-9-6-23(24,25)7-10-28)16-27-11-13-29(14-12-27)22(32)30-8-5-20(26-30)18(2)31;1-17-6-7-20(22(15-17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)23(30)28-10-8-21(24-28)19(3)29;1-16-4-3-8-27(16)21-14-19(23)6-5-18(21)15-25-10-12-26(13-11-25)22(30)28-9-7-20(24-28)17(2)29/h3-6,11,20-21H,7-10,12-16H2,1-2H3;7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-3,6-7,12,19-20H,4-5,8-11,13-15H2,1H3;3-5,8,15H,6-7,9-14,16H2,1-2H3;6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3;5-7,9,14,16H,3-4,8,10-13,15H2,1-2H3/t;19-;;;18-;16-/m.1..00/s1.
What are the key properties of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2604.07 g/mol, XLogP of 18.81, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163830951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).