5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole

C66H70Cl4N18O5S — CID 158022716

IUPAC5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
SMILESCC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3cscn3)CC2)c2cn[nH]c2c1.O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
InChIInChI=1S/C20H21ClN4O.C16H18ClN5O2.C15H16ClN5O2.C15H15ClN4S/c1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12;16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13;16-11-5-13-12(7-18-19-13)15(6-11)20-3-1-10(2-4-20)14-8-21-9-17-14/h2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24);5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23);5-10H,1-4H2,(H,18,19)
InChIKeyFGGATTXIWVBVRF-UHFFFAOYSA-N
MW1369.29 g/mol
LogP12.24
Rot. Bonds9

About 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole

5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole (PubChem CID 158022716) has the molecular formula C66H70Cl4N18O5S and a molecular weight of 1369.29 g/mol. Its IUPAC name is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
PubChem CID158022716
Molecular FormulaC66H70Cl4N18O5S
Molecular Weight1369.29 g/mol
Exact Mass1366.43
IUPAC Name5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
SMILESCC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3cscn3)CC2)c2cn[nH]c2c1.O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
InChIInChI=1S/C20H21ClN4O.C16H18ClN5O2.C15H16ClN5O2.C15H15ClN4S/c1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12;16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13;16-11-5-13-12(7-18-19-13)15(6-11)20-3-1-10(2-4-20)14-8-21-9-17-14/h2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24);5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23);5-10H,1-4H2,(H,18,19)
InChIKeyFGGATTXIWVBVRF-UHFFFAOYSA-N
XLogP12.24
TPSA277.28 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms94
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001369.29
LogP ≤ 512.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole (CID 158022716) is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole is CC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3cscn3)CC2)c2cn[nH]c2c1.O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.
What is the InChIKey of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is FGGATTXIWVBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O.C16H18ClN5O2.C15H16ClN5O2.C15H15ClN4S/c1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12;16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13;16-11-5-13-12(7-18-19-13)15(6-11)20-3-1-10(2-4-20)14-8-21-9-17-14/h2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24);5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23);5-10H,1-4H2,(H,18,19).
What are the key properties of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 1369.29 g/mol, XLogP of 12.24, 9 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 158022716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).