5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine

C59H61N9 — CID 145440518

IUPAC5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)[nH]n5)nc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)[nH]n5)nc4)C3)cn2)n[nH]1
InChIInChI=1S/C59H61N9/c1-35-24-55(66-63-35)52-21-14-38(32-60-52)46-12-10-11-13-47(46)41-27-42(48-19-17-44(58(4,5)6)30-50(48)39-15-22-53(61-33-39)56-25-36(2)64-67-56)29-43(28-41)49-20-18-45(59(7,8)9)31-51(49)40-16-23-54(62-34-40)57-26-37(3)65-68-57/h10-26,30-34,41-43H,27-29H2,1-9H3,(H,63,66)(H,64,67)(H,65,68)
InChIKeyMCBZJABIWGAOTM-UHFFFAOYSA-N
MW896.20 g/mol
LogP14.40
Rot. Bonds9

About 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine

5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine (PubChem CID 145440518) has the molecular formula C59H61N9 and a molecular weight of 896.20 g/mol. Its IUPAC name is 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine
PubChem CID145440518
Molecular FormulaC59H61N9
Molecular Weight896.20 g/mol
Exact Mass895.50
IUPAC Name5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)[nH]n5)nc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)[nH]n5)nc4)C3)cn2)n[nH]1
InChIInChI=1S/C59H61N9/c1-35-24-55(66-63-35)52-21-14-38(32-60-52)46-12-10-11-13-47(46)41-27-42(48-19-17-44(58(4,5)6)30-50(48)39-15-22-53(61-33-39)56-25-36(2)64-67-56)29-43(28-41)49-20-18-45(59(7,8)9)31-51(49)40-16-23-54(62-34-40)57-26-37(3)65-68-57/h10-26,30-34,41-43H,27-29H2,1-9H3,(H,63,66)(H,64,67)(H,65,68)
InChIKeyMCBZJABIWGAOTM-UHFFFAOYSA-N
XLogP14.40
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.20
LogP ≤ 514.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine (CID 145440518) is 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine is Cc1cc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)[nH]n5)nc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)[nH]n5)nc4)C3)cn2)n[nH]1.
What is the InChIKey of 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
The InChIKey is MCBZJABIWGAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H61N9/c1-35-24-55(66-63-35)52-21-14-38(32-60-52)46-12-10-11-13-47(46)41-27-42(48-19-17-44(58(4,5)6)30-50(48)39-15-22-53(61-33-39)56-25-36(2)64-67-56)29-43(28-41)49-20-18-45(59(7,8)9)31-51(49)40-16-23-54(62-34-40)57-26-37(3)65-68-57/h10-26,30-34,41-43H,27-29H2,1-9H3,(H,63,66)(H,64,67)(H,65,68).
What are the key properties of 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine has a molecular weight of 896.20 g/mol, XLogP of 14.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[4-tert-butyl-2-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 145440518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).