6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one

C139H135Cl6F5N18O6 — CID 158647459

About 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one

6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one (PubChem CID 158647459) has the molecular formula C139H135Cl6F5N18O6 and a molecular weight of 2461.44 g/mol. Its IUPAC name is 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one.

Molecular Properties

• Compound Name: 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one
• PubChem CID: 158647459
• Molecular Formula: C139H135Cl6F5N18O6
• Molecular Weight: 2461.44 g/mol
• Exact Mass: 2456.89
• IUPAC Name: 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one
• SMILES: CC(C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.CC(C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.C[C@H](C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.Cc1cc(C2CCC([C@@H](C)n3[nH]c4cc(Cl)ccc4c3=O)CC2)ccn1.O=c1c2ccc(Cl)cc2[nH]n1CC1CCC(c2ccnc3ccc(F)cc23)CC1.O=c1c2ccc(Cl)cc2[nH]n1CC1CCC(c2ccnc3ccc(F)cc23)CC1
• InChI: InChI=1S/3C24H23ClFN3O.2C23H21ClFN3O.C21H24ClN3O/c3*1-14(29-24(30)20-8-6-17(25)12-23(20)28-29)15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22;2*24-16-5-7-19-22(11-16)27-28(23(19)29)13-14-1-3-15(4-2-14)18-9-10-26-21-8-6-17(25)12-20(18)21;1-13-11-17(9-10-23-13)16-5-3-15(4-6-16)14(2)25-21(26)19-8-7-18(22)12-20(19)24-25/h3*6-16,28H,2-5H2,1H3;2*5-12,14-15,27H,1-4,13H2;7-12,14-16,24H,3-6H2,1-2H3/t14-,15?,16?;;;;;14-,15?,16?/m1....1/s1
• InChIKey: IBDHNRXQIOOUJH-JMEGDWFVSA-N
• XLogP: 35.13
• TPSA: 304.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2461.44
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one?

The IUPAC name of 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one (CID 158647459) is 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one.

What is the SMILES notation for 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one?

The canonical SMILES for 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one is CC(C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.CC(C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.C[C@H](C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.Cc1cc(C2CCC([C@@H](C)n3[nH]c4cc(Cl)ccc4c3=O)CC2)ccn1.O=c1c2ccc(Cl)cc2[nH]n1CC1CCC(c2ccnc3ccc(F)cc23)CC1.O=c1c2ccc(Cl)cc2[nH]n1CC1CCC(c2ccnc3ccc(F)cc23)CC1.

What is the InChIKey of 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one?

The InChIKey is IBDHNRXQIOOUJH-JMEGDWFVSA-N. The full InChI is InChI=1S/3C24H23ClFN3O.2C23H21ClFN3O.C21H24ClN3O/c3*1-14(29-24(30)20-8-6-17(25)12-23(20)28-29)15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22;2*24-16-5-7-19-22(11-16)27-28(23(19)29)13-14-1-3-15(4-2-14)18-9-10-26-21-8-6-17(25)12-20(18)21;1-13-11-17(9-10-23-13)16-5-3-15(4-6-16)14(2)25-21(26)19-8-7-18(22)12-20(19)24-25/h3*6-16,28H,2-5H2,1H3;2*5-12,14-15,27H,1-4,13H2;7-12,14-16,24H,3-6H2,1-2H3/t14-,15?,16?;;;;;14-,15?,16?/m1....1/s1.

What are the key properties of 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one?

6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one has a molecular weight of 2461.44 g/mol, XLogP of 35.13, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;bis(6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one);bis(6-chloro-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-indazol-3-one);6-chloro-2-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]-1H-indazol-3-one is sourced from PubChem (CID 158647459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).