2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine

C30H32N6 — CID 159840695

IUPAC2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C(C)(C)C)[nH]n4)n3)n2)n[nH]1
InChIInChI=1S/C30H32N6/c1-29(2,3)27-17-25(33-35-27)23-15-9-13-21(31-23)19-11-7-8-12-20(19)22-14-10-16-24(32-22)26-18-28(36-34-26)30(4,5)6/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyBAJGMODIABOISG-UHFFFAOYSA-N
MW476.63 g/mol
LogP7.19
Rot. Bonds4

About 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine

2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine (PubChem CID 159840695) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine
PubChem CID159840695
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C(C)(C)C)[nH]n4)n3)n2)n[nH]1
InChIInChI=1S/C30H32N6/c1-29(2,3)27-17-25(33-35-27)23-15-9-13-21(31-23)19-11-7-8-12-20(19)22-14-10-16-24(32-22)26-18-28(36-34-26)30(4,5)6/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyBAJGMODIABOISG-UHFFFAOYSA-N
XLogP7.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
CID 118121632
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314749
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 122218757
5-tert-butyl-3-phenyl-1H-pyrazole;methyl hydrogen sulfate
CID 173458849
14-tert-butyl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 136823593
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 2982389
1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine
CID 156661505
2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine
CID 168890082
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 1258899
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine
CID 90268941

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine?
The IUPAC name of 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine (CID 159840695) is 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine.
What is the SMILES notation for 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine?
The canonical SMILES for 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine is CC(C)(C)c1cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C(C)(C)C)[nH]n4)n3)n2)n[nH]1.
What is the InChIKey of 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine?
The InChIKey is BAJGMODIABOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-29(2,3)27-17-25(33-35-27)23-15-9-13-21(31-23)19-11-7-8-12-20(19)22-14-10-16-24(32-22)26-18-28(36-34-26)30(4,5)6/h7-18H,1-6H3,(H,33,35)(H,34,36).
What are the key properties of 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine?
2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine has a molecular weight of 476.63 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine is sourced from PubChem (CID 159840695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).