methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine

C46H56N6O2 — CID 159393789

IUPACmethane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine
SMILESC.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1
InChIInChI=1S/C24H29N3O.C21H23N3O.CH4/c1-17(2)13-20-15-22(25-16-21(20)19-9-5-4-6-10-19)23-14-18(3)26-27(23)24-11-7-8-12-28-24;1-15-12-19(22-14-18(15)17-8-4-3-5-9-17)20-13-16(2)23-24(20)21-10-6-7-11-25-21;/h4-6,9-10,14-17,24H,7-8,11-13H2,1-3H3;3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3;1H4
InChIKeyLMLLVHWRRZJHQX-UHFFFAOYSA-N
MW724.99 g/mol
LogP11.38
Rot. Bonds8

About methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine

methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine (PubChem CID 159393789) has the molecular formula C46H56N6O2 and a molecular weight of 724.99 g/mol. Its IUPAC name is methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine.

Molecular Properties

Compound Namemethane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine
PubChem CID159393789
Molecular FormulaC46H56N6O2
Molecular Weight724.99 g/mol
Exact Mass724.45
IUPAC Namemethane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine
SMILESC.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1
InChIInChI=1S/C24H29N3O.C21H23N3O.CH4/c1-17(2)13-20-15-22(25-16-21(20)19-9-5-4-6-10-19)23-14-18(3)26-27(23)24-11-7-8-12-28-24;1-15-12-19(22-14-18(15)17-8-4-3-5-9-17)20-13-16(2)23-24(20)21-10-6-7-11-25-21;/h4-6,9-10,14-17,24H,7-8,11-13H2,1-3H3;3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3;1H4
InChIKeyLMLLVHWRRZJHQX-UHFFFAOYSA-N
XLogP11.38
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-4-trifluoromethyl-pyridine
CID 121347799
4-Methyl-2-[3-(1-methyl-1H-pyrazol-4-yl)-phenyl]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-pyridine
CID 121347855
1-[(1-phenyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methyl]-4-(tetrahydro-2H-pyran-4-yl)piperazine
CID 131935910
4-[5-(4-Fluorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]pyridine
CID 67074407
4-[5-(4-Fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67106062
4-[5-(4-Fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67106076
4-[3-(4-Fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine
CID 67106860
4-[5-(2,4-Difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67107098
4-[3-(4-Fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67107099
2-[[4-[4-Fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69350531
2-[3-[2-(3-Methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
CID 71076224
3-(2-fluoropyridin-4-yl)-5-(pyridin-3-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253405

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine?
The IUPAC name of methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine (CID 159393789) is methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine.
What is the SMILES notation for methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine?
The canonical SMILES for methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine is C.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.
What is the InChIKey of methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine?
The InChIKey is LMLLVHWRRZJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O.C21H23N3O.CH4/c1-17(2)13-20-15-22(25-16-21(20)19-9-5-4-6-10-19)23-14-18(3)26-27(23)24-11-7-8-12-28-24;1-15-12-19(22-14-18(15)17-8-4-3-5-9-17)20-13-16(2)23-24(20)21-10-6-7-11-25-21;/h4-6,9-10,14-17,24H,7-8,11-13H2,1-3H3;3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3;1H4.
What are the key properties of methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine?
methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine has a molecular weight of 724.99 g/mol, XLogP of 11.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine is sourced from PubChem (CID 159393789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).