1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C93H119Cl3F3N19O10 — CID 163738057

IUPAC1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(C)(C)O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C26H37N5O3.C24H33N5O2.C23H28ClN5O3.C20H21Cl2F3N4O2/c1-19-5-6-21(24(17-19)29-10-7-22(8-11-29)26(3,4)34)18-28-13-15-30(16-14-28)25(33)31-12-9-23(27-31)20(2)32;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)21-4-5-29(25-21)23(31)27-8-6-26(7-9-27)11-17-2-3-20(24)10-22(17)28-12-18-14-32-15-19(18)13-28;1-12(30)18-17(22)11-29(26-18)19(31)28-7-5-15(6-8-28)27(2)10-13-9-14(21)3-4-16(13)20(23,24)25/h5-6,9,12,17,22,34H,7-8,10-11,13-16,18H2,1-4H3;7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-5,10,18-19H,6-9,11-15H2,1H3;3-4,9,11,15H,5-8,10H2,1-2H3/t;19-;;/m.0../s1
InChIKeyLFIYGQYWJVBRGW-ZHTZPMDJSA-N
MW1826.45 g/mol
LogP14.31
Rot. Bonds17

About 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163738057) has the molecular formula C93H119Cl3F3N19O10 and a molecular weight of 1826.45 g/mol. Its IUPAC name is 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163738057
Molecular FormulaC93H119Cl3F3N19O10
Molecular Weight1826.45 g/mol
Exact Mass1823.84
IUPAC Name1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(C)(C)O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C26H37N5O3.C24H33N5O2.C23H28ClN5O3.C20H21Cl2F3N4O2/c1-19-5-6-21(24(17-19)29-10-7-22(8-11-29)26(3,4)34)18-28-13-15-30(16-14-28)25(33)31-12-9-23(27-31)20(2)32;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)21-4-5-29(25-21)23(31)27-8-6-26(7-9-27)11-17-2-3-20(24)10-22(17)28-12-18-14-32-15-19(18)13-28;1-12(30)18-17(22)11-29(26-18)19(31)28-7-5-15(6-8-28)27(2)10-13-9-14(21)3-4-16(13)20(23,24)25/h5-6,9,12,17,22,34H,7-8,10-11,13-16,18H2,1-4H3;7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-5,10,18-19H,6-9,11-15H2,1H3;3-4,9,11,15H,5-8,10H2,1-2H3/t;19-;;/m.0../s1
InChIKeyLFIYGQYWJVBRGW-ZHTZPMDJSA-N
XLogP14.31
TPSA272.94 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.45
LogP ≤ 514.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-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-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163738057) is 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(C)(C)O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is LFIYGQYWJVBRGW-ZHTZPMDJSA-N. The full InChI is InChI=1S/C26H37N5O3.C24H33N5O2.C23H28ClN5O3.C20H21Cl2F3N4O2/c1-19-5-6-21(24(17-19)29-10-7-22(8-11-29)26(3,4)34)18-28-13-15-30(16-14-28)25(33)31-12-9-23(27-31)20(2)32;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)21-4-5-29(25-21)23(31)27-8-6-26(7-9-27)11-17-2-3-20(24)10-22(17)28-12-18-14-32-15-19(18)13-28;1-12(30)18-17(22)11-29(26-18)19(31)28-7-5-15(6-8-28)27(2)10-13-9-14(21)3-4-16(13)20(23,24)25/h5-6,9,12,17,22,34H,7-8,10-11,13-16,18H2,1-4H3;7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-5,10,18-19H,6-9,11-15H2,1H3;3-4,9,11,15H,5-8,10H2,1-2H3/t;19-;;/m.0../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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 1826.45 g/mol, XLogP of 14.31, 17 rotatable bonds, 1 hydrogen bond donors, and 25 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-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163738057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).