5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide

C160H213Cl12F3N30O6 — CID 158281515

IUPAC5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1.CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1.CCNC(=O)c1cnc(N2C[C@H](CC)N(C3CCN(Cc4ccc(Cl)cc4)CC3)C[C@H]2C)c(Cl)c1.CCNC(=O)c1cnc(N2C[C@H](CC)N(C3CCN(Cc4ccc(Cl)cc4F)CC3)C[C@H]2C)c(Cl)c1.CC[C@H]1CN(c2ncc(C(=O)NC(C)C)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2ncc(C(=O)NC3CC3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C27H34Cl2FN5O.C27H36Cl2FN5O.2C27H37Cl2N5O.C26H34Cl2FN5O.C26H35Cl2N5O/c1-2-22-17-34(26-24(29)13-19(15-31-26)27(36)32-21-5-6-21)11-12-35(22)23-7-9-33(10-8-23)16-18-3-4-20(28)14-25(18)30;1-4-22-17-34(26-24(29)12-20(14-32-26)27(36)31-5-2)18(3)15-35(22)23-8-10-33(11-9-23)16-19-6-7-21(28)13-25(19)30;1-4-23-18-33(26-25(29)15-21(16-30-26)27(35)31-19(2)3)13-14-34(23)24-9-11-32(12-10-24)17-20-5-7-22(28)8-6-20;1-4-23-18-33(26-25(29)14-21(15-31-26)27(35)30-5-2)19(3)16-34(23)24-10-12-32(13-11-24)17-20-6-8-22(28)9-7-20;1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29;1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h3-4,13-15,21-23H,2,5-12,16-17H2,1H3,(H,32,36);6-7,12-14,18,22-23H,4-5,8-11,15-17H2,1-3H3,(H,31,36);5-8,15-16,19,23-24H,4,9-14,17-18H2,1-3H3,(H,31,35);6-9,14-15,19,23-24H,4-5,10-13,16-18H2,1-3H3,(H,30,35);5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35);5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-;18-,22+;23-;19-,23+;21-;22-/m010100/s1
InChIKeyGKGRGQHUWUXJGO-BXJGTEILSA-N
MW3135.10 g/mol
LogP29.95
Rot. Bonds42

About 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide

5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 158281515) has the molecular formula C160H213Cl12F3N30O6 and a molecular weight of 3135.10 g/mol. Its IUPAC name is 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID158281515
Molecular FormulaC160H213Cl12F3N30O6
Molecular Weight3135.10 g/mol
Exact Mass3127.35
IUPAC Name5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1.CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1.CCNC(=O)c1cnc(N2C[C@H](CC)N(C3CCN(Cc4ccc(Cl)cc4)CC3)C[C@H]2C)c(Cl)c1.CCNC(=O)c1cnc(N2C[C@H](CC)N(C3CCN(Cc4ccc(Cl)cc4F)CC3)C[C@H]2C)c(Cl)c1.CC[C@H]1CN(c2ncc(C(=O)NC(C)C)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2ncc(C(=O)NC3CC3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C27H34Cl2FN5O.C27H36Cl2FN5O.2C27H37Cl2N5O.C26H34Cl2FN5O.C26H35Cl2N5O/c1-2-22-17-34(26-24(29)13-19(15-31-26)27(36)32-21-5-6-21)11-12-35(22)23-7-9-33(10-8-23)16-18-3-4-20(28)14-25(18)30;1-4-22-17-34(26-24(29)12-20(14-32-26)27(36)31-5-2)18(3)15-35(22)23-8-10-33(11-9-23)16-19-6-7-21(28)13-25(19)30;1-4-23-18-33(26-25(29)15-21(16-30-26)27(35)31-19(2)3)13-14-34(23)24-9-11-32(12-10-24)17-20-5-7-22(28)8-6-20;1-4-23-18-33(26-25(29)14-21(15-31-26)27(35)30-5-2)19(3)16-34(23)24-10-12-32(13-11-24)17-20-6-8-22(28)9-7-20;1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29;1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h3-4,13-15,21-23H,2,5-12,16-17H2,1H3,(H,32,36);6-7,12-14,18,22-23H,4-5,8-11,15-17H2,1-3H3,(H,31,36);5-8,15-16,19,23-24H,4,9-14,17-18H2,1-3H3,(H,31,35);6-9,14-15,19,23-24H,4-5,10-13,16-18H2,1-3H3,(H,30,35);5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35);5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-;18-,22+;23-;19-,23+;21-;22-/m010100/s1
InChIKeyGKGRGQHUWUXJGO-BXJGTEILSA-N
XLogP29.95
TPSA310.26 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003135.10
LogP ≤ 529.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 158281515) is 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide is CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1.CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1.CCNC(=O)c1cnc(N2C[C@H](CC)N(C3CCN(Cc4ccc(Cl)cc4)CC3)C[C@H]2C)c(Cl)c1.CCNC(=O)c1cnc(N2C[C@H](CC)N(C3CCN(Cc4ccc(Cl)cc4F)CC3)C[C@H]2C)c(Cl)c1.CC[C@H]1CN(c2ncc(C(=O)NC(C)C)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2ncc(C(=O)NC3CC3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GKGRGQHUWUXJGO-BXJGTEILSA-N. The full InChI is InChI=1S/C27H34Cl2FN5O.C27H36Cl2FN5O.2C27H37Cl2N5O.C26H34Cl2FN5O.C26H35Cl2N5O/c1-2-22-17-34(26-24(29)13-19(15-31-26)27(36)32-21-5-6-21)11-12-35(22)23-7-9-33(10-8-23)16-18-3-4-20(28)14-25(18)30;1-4-22-17-34(26-24(29)12-20(14-32-26)27(36)31-5-2)18(3)15-35(22)23-8-10-33(11-9-23)16-19-6-7-21(28)13-25(19)30;1-4-23-18-33(26-25(29)15-21(16-30-26)27(35)31-19(2)3)13-14-34(23)24-9-11-32(12-10-24)17-20-5-7-22(28)8-6-20;1-4-23-18-33(26-25(29)14-21(15-31-26)27(35)30-5-2)19(3)16-34(23)24-10-12-32(13-11-24)17-20-6-8-22(28)9-7-20;1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29;1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h3-4,13-15,21-23H,2,5-12,16-17H2,1H3,(H,32,36);6-7,12-14,18,22-23H,4-5,8-11,15-17H2,1-3H3,(H,31,36);5-8,15-16,19,23-24H,4,9-14,17-18H2,1-3H3,(H,31,35);6-9,14-15,19,23-24H,4-5,10-13,16-18H2,1-3H3,(H,30,35);5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35);5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-;18-,22+;23-;19-,23+;21-;22-/m010100/s1.
What are the key properties of 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 3135.10 g/mol, XLogP of 29.95, 42 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2R,5S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 158281515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).