5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole

C59H59F2N11O2 — CID 158598831

IUPAC5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOCCOc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)cn2)C1.Cc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1
InChIInChI=1S/C31H32FN5O2.C28H27FN6/c1-38-15-16-39-30-11-5-10-28(32)27(30)21-36-14-6-9-25(20-36)37-19-24(18-33-37)23-12-13-29-26(17-23)31(35-34-29)22-7-3-2-4-8-22;1-19-4-2-6-26(29)25(19)18-34-13-3-5-23(17-34)35-16-22(15-31-35)21-7-8-27-24(14-21)28(33-32-27)20-9-11-30-12-10-20/h2-5,7-8,10-13,17-19,25H,6,9,14-16,20-21H2,1H3,(H,34,35);2,4,6-12,14-16,23H,3,5,13,17-18H2,1H3,(H,32,33)/t;23-/m.1/s1
InChIKeyHVJIUGSOCJUBCV-WDTRHKCHSA-N
MW992.19 g/mol
LogP11.87
Rot. Bonds14

About 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole

5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 158598831) has the molecular formula C59H59F2N11O2 and a molecular weight of 992.19 g/mol. Its IUPAC name is 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
PubChem CID158598831
Molecular FormulaC59H59F2N11O2
Molecular Weight992.19 g/mol
Exact Mass991.48
IUPAC Name5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOCCOc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)cn2)C1.Cc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1
InChIInChI=1S/C31H32FN5O2.C28H27FN6/c1-38-15-16-39-30-11-5-10-28(32)27(30)21-36-14-6-9-25(20-36)37-19-24(18-33-37)23-12-13-29-26(17-23)31(35-34-29)22-7-3-2-4-8-22;1-19-4-2-6-26(29)25(19)18-34-13-3-5-23(17-34)35-16-22(15-31-35)21-7-8-27-24(14-21)28(33-32-27)20-9-11-30-12-10-20/h2-5,7-8,10-13,17-19,25H,6,9,14-16,20-21H2,1H3,(H,34,35);2,4,6-12,14-16,23H,3,5,13,17-18H2,1H3,(H,32,33)/t;23-/m.1/s1
InChIKeyHVJIUGSOCJUBCV-WDTRHKCHSA-N
XLogP11.87
TPSA130.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500992.19
LogP ≤ 511.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole with MolForge

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Related Compounds

[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine
CID 145754851
(2S)-1-[[6-[2-[(3-fluorophenyl)methoxy]phenyl]-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
CID 11534165
5-[4-[(3R)-1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
CID 56968980
5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole
CID 56969209
5-[4-[(3R)-1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
CID 56969439
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 56969448
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 56970503
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole
CID 56970506
5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 56970958
3-(2-methylpyridin-4-yl)-5-[1-[(3R)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]triazol-4-yl]-1H-indazole
CID 68074569
(2S)-1-[[6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
CID 69132282
(2R)-1-N-[6-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 69132633

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole (CID 158598831) is 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole is COCCOc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)cn2)C1.Cc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.
What is the InChIKey of 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The InChIKey is HVJIUGSOCJUBCV-WDTRHKCHSA-N. The full InChI is InChI=1S/C31H32FN5O2.C28H27FN6/c1-38-15-16-39-30-11-5-10-28(32)27(30)21-36-14-6-9-25(20-36)37-19-24(18-33-37)23-12-13-29-26(17-23)31(35-34-29)22-7-3-2-4-8-22;1-19-4-2-6-26(29)25(19)18-34-13-3-5-23(17-34)35-16-22(15-31-35)21-7-8-27-24(14-21)28(33-32-27)20-9-11-30-12-10-20/h2-5,7-8,10-13,17-19,25H,6,9,14-16,20-21H2,1H3,(H,34,35);2,4,6-12,14-16,23H,3,5,13,17-18H2,1H3,(H,32,33)/t;23-/m.1/s1.
What are the key properties of 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 992.19 g/mol, XLogP of 11.87, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 158598831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).