1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C159H203Cl2FN30O19 — CID 163554863

IUPAC1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)c(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(F)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4C5CCC4COC5)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4CC5COCC5C4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C)c3N3CCOCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)c1
InChIInChI=1S/2C25H35N5O2.2C24H31N5O3.C22H29N5O3.C21H23ClN2O3.C18H19ClFN3O3/c1-19-7-8-21(17-23(19)28-12-5-6-13-28)18-27(4)25(3)10-15-29(16-11-25)24(32)30-14-9-22(26-30)20(2)31;1-19-7-8-21(23(17-19)28-12-5-6-13-28)18-27(4)25(3)10-15-29(16-11-25)24(32)30-14-9-22(26-30)20(2)31;1-17-3-4-19(11-23(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;1-17-3-4-19(13-23(17)29-20-5-6-21(29)16-32-15-20)14-26-9-11-27(12-10-26)24(31)28-8-7-22(25-28)18(2)30;1-17-4-3-5-19(21(17)25-12-14-30-15-13-25)16-24-8-10-26(11-9-24)22(29)27-7-6-20(23-27)18(2)28;1-14(25)15-6-7-23(10-15)21(26)24-11-17-8-19(9-18(17)12-24)27-13-16-4-2-3-5-20(16)22;1-12(24)17-4-7-23(21-17)18(25)22-5-2-16(3-6-22)26-11-13-8-14(19)10-15(20)9-13/h2*7-9,14,17H,5-6,10-13,15-16,18H2,1-4H3;3-6,11,20-21H,7-10,12-16H2,1-2H3;3-4,7-8,13,20-21H,5-6,9-12,14-16H2,1-2H3;3-7H,8-16H2,1-2H3;2-7,10,17-19H,8-9,11-13H2,1H3;4,7-10,16H,2-3,5-6,11H2,1H3/t;;;;;17-,18+,19?;
InChIKeyFMEBSJVSBQGOJR-MPZQRLHISA-N
MW2928.47 g/mol
LogP22.49
Rot. Bonds30

About 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163554863) has the molecular formula C159H203Cl2FN30O19 and a molecular weight of 2928.47 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163554863
Molecular FormulaC159H203Cl2FN30O19
Molecular Weight2928.47 g/mol
Exact Mass2925.52
IUPAC Name1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)c(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(F)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4C5CCC4COC5)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4CC5COCC5C4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C)c3N3CCOCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)c1
InChIInChI=1S/2C25H35N5O2.2C24H31N5O3.C22H29N5O3.C21H23ClN2O3.C18H19ClFN3O3/c1-19-7-8-21(17-23(19)28-12-5-6-13-28)18-27(4)25(3)10-15-29(16-11-25)24(32)30-14-9-22(26-30)20(2)31;1-19-7-8-21(23(17-19)28-12-5-6-13-28)18-27(4)25(3)10-15-29(16-11-25)24(32)30-14-9-22(26-30)20(2)31;1-17-3-4-19(11-23(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;1-17-3-4-19(13-23(17)29-20-5-6-21(29)16-32-15-20)14-26-9-11-27(12-10-26)24(31)28-8-7-22(25-28)18(2)30;1-17-4-3-5-19(21(17)25-12-14-30-15-13-25)16-24-8-10-26(11-9-24)22(29)27-7-6-20(23-27)18(2)28;1-14(25)15-6-7-23(10-15)21(26)24-11-17-8-19(9-18(17)12-24)27-13-16-4-2-3-5-20(16)22;1-12(24)17-4-7-23(21-17)18(25)22-5-2-16(3-6-22)26-11-13-8-14(19)10-15(20)9-13/h2*7-9,14,17H,5-6,10-13,15-16,18H2,1-4H3;3-6,11,20-21H,7-10,12-16H2,1-2H3;3-4,7-8,13,20-21H,5-6,9-12,14-16H2,1-2H3;3-7H,8-16H2,1-2H3;2-7,10,17-19H,8-9,11-13H2,1H3;4,7-10,16H,2-3,5-6,11H2,1H3/t;;;;;17-,18+,19?;
InChIKeyFMEBSJVSBQGOJR-MPZQRLHISA-N
XLogP22.49
TPSA452.06 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002928.47
LogP ≤ 522.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163554863) is 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)c(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(F)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4C5CCC4COC5)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4CC5COCC5C4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C)c3N3CCOCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)c1.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is FMEBSJVSBQGOJR-MPZQRLHISA-N. The full InChI is InChI=1S/2C25H35N5O2.2C24H31N5O3.C22H29N5O3.C21H23ClN2O3.C18H19ClFN3O3/c1-19-7-8-21(17-23(19)28-12-5-6-13-28)18-27(4)25(3)10-15-29(16-11-25)24(32)30-14-9-22(26-30)20(2)31;1-19-7-8-21(23(17-19)28-12-5-6-13-28)18-27(4)25(3)10-15-29(16-11-25)24(32)30-14-9-22(26-30)20(2)31;1-17-3-4-19(11-23(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;1-17-3-4-19(13-23(17)29-20-5-6-21(29)16-32-15-20)14-26-9-11-27(12-10-26)24(31)28-8-7-22(25-28)18(2)30;1-17-4-3-5-19(21(17)25-12-14-30-15-13-25)16-24-8-10-26(11-9-24)22(29)27-7-6-20(23-27)18(2)28;1-14(25)15-6-7-23(10-15)21(26)24-11-17-8-19(9-18(17)12-24)27-13-16-4-2-3-5-20(16)22;1-12(24)17-4-7-23(21-17)18(25)22-5-2-16(3-6-22)26-11-13-8-14(19)10-15(20)9-13/h2*7-9,14,17H,5-6,10-13,15-16,18H2,1-4H3;3-6,11,20-21H,7-10,12-16H2,1-2H3;3-4,7-8,13,20-21H,5-6,9-12,14-16H2,1-2H3;3-7H,8-16H2,1-2H3;2-7,10,17-19H,8-9,11-13H2,1H3;4,7-10,16H,2-3,5-6,11H2,1H3/t;;;;;17-,18+,19?;.
What are the key properties of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2928.47 g/mol, XLogP of 22.49, 30 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[4-[[3-(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-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163554863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).