2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine

C76H106N10O2 — CID 159188339

IUPAC2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)nc(-c3cc(C(C)(C)C)[nH]n3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)nn3C3CCCCO3)nc(-c3cc(C(C)(C)C)nn3C3CCCCO3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C43H61N5O2.C33H45N5/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)29-23-32(34-26-36(42(7,8)9)45-47(34)38-17-13-15-19-49-38)44-33(24-29)35-27-37(43(10,11)12)46-48(35)39-18-14-16-20-50-39;1-30(2,3)22-13-20(14-23(17-22)31(4,5)6)21-15-24(26-18-28(37-35-26)32(7,8)9)34-25(16-21)27-19-29(38-36-27)33(10,11)12/h21-27,38-39H,13-20H2,1-12H3;13-19H,1-12H3,(H,35,37)(H,36,38)
InChIKeyKNTRJDZLASDJBM-UHFFFAOYSA-N
MW1191.75 g/mol
LogP19.78
Rot. Bonds8

About 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine

2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine (PubChem CID 159188339) has the molecular formula C76H106N10O2 and a molecular weight of 1191.75 g/mol. Its IUPAC name is 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine
PubChem CID159188339
Molecular FormulaC76H106N10O2
Molecular Weight1191.75 g/mol
Exact Mass1190.85
IUPAC Name2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)nc(-c3cc(C(C)(C)C)[nH]n3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)nn3C3CCCCO3)nc(-c3cc(C(C)(C)C)nn3C3CCCCO3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C43H61N5O2.C33H45N5/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)29-23-32(34-26-36(42(7,8)9)45-47(34)38-17-13-15-19-49-38)44-33(24-29)35-27-37(43(10,11)12)46-48(35)39-18-14-16-20-50-39;1-30(2,3)22-13-20(14-23(17-22)31(4,5)6)21-15-24(26-18-28(37-35-26)32(7,8)9)34-25(16-21)27-19-29(38-36-27)33(10,11)12/h21-27,38-39H,13-20H2,1-12H3;13-19H,1-12H3,(H,35,37)(H,36,38)
InChIKeyKNTRJDZLASDJBM-UHFFFAOYSA-N
XLogP19.78
TPSA137.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.75
LogP ≤ 519.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine with MolForge

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Related Compounds

2-[5-Methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
CID 118651908
2-[2-(Oxan-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]-6-[3-[6-[2-(oxan-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]pyridin-2-yl]phenyl]pyridine
CID 118654421
1,1,1-Trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine
CID 158564188
1,1,1-Trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine
CID 159463395
2-[5-Ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[2-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine
CID 118651887
2-[5-Ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine
CID 118651916
3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole
CID 126578320
2,6-Bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine
CID 126578323
ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144833702
1-[6-[2-[6-[3-Tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-1-(oxan-2-ylimino)pent-2-en-3-amine
CID 154006942
1-[6-[3-[6-[5-Ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine
CID 154006949
4-[6-[2-[6-[5-Methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine
CID 157291996

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine?
The IUPAC name of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine (CID 159188339) is 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine.
What is the SMILES notation for 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine?
The canonical SMILES for 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)nc(-c3cc(C(C)(C)C)[nH]n3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)nn3C3CCCCO3)nc(-c3cc(C(C)(C)C)nn3C3CCCCO3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine?
The InChIKey is KNTRJDZLASDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H61N5O2.C33H45N5/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)29-23-32(34-26-36(42(7,8)9)45-47(34)38-17-13-15-19-49-38)44-33(24-29)35-27-37(43(10,11)12)46-48(35)39-18-14-16-20-50-39;1-30(2,3)22-13-20(14-23(17-22)31(4,5)6)21-15-24(26-18-28(37-35-26)32(7,8)9)34-25(16-21)27-19-29(38-36-27)33(10,11)12/h21-27,38-39H,13-20H2,1-12H3;13-19H,1-12H3,(H,35,37)(H,36,38).
What are the key properties of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine?
2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine has a molecular weight of 1191.75 g/mol, XLogP of 19.78, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)-4-(3,5-ditert-butylphenyl)pyridine is sourced from PubChem (CID 159188339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).