4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine

C24H27N — CID 162709897

IUPAC4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
SMILES[2H]C([2H])(c1ccnc(-c2cccc(C(C)(C)c3ccccc3)c2)c1)C(C)C
InChIInChI=1S/C24H27N/c1-18(2)15-19-13-14-25-23(16-19)20-9-8-12-22(17-20)24(3,4)21-10-6-5-7-11-21/h5-14,16-18H,15H2,1-4H3/i15D2
InChIKeyMCGREVLTOSZFOS-DOBBINOXSA-N
MW331.50 g/mol
LogP6.27
Rot. Bonds5

About 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine

4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine (PubChem CID 162709897) has the molecular formula C24H27N and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
PubChem CID162709897
Molecular FormulaC24H27N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
SMILES[2H]C([2H])(c1ccnc(-c2cccc(C(C)(C)c3ccccc3)c2)c1)C(C)C
InChIInChI=1S/C24H27N/c1-18(2)15-19-13-14-25-23(16-19)20-9-8-12-22(17-20)24(3,4)21-10-6-5-7-11-21/h5-14,16-18H,15H2,1-4H3/i15D2
InChIKeyMCGREVLTOSZFOS-DOBBINOXSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine
CID 164792178
trimethyl-[2-[3-(2-phenylpropan-2-yl)phenyl]-4-pyridinyl]silane
CID 162707277
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
CID 162707825
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine
CID 162708789
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162708990
[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
CID 169052705
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine
CID 153412508
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
5-phenyl-2-[3-[4-[3-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 163447851

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine?
The IUPAC name of 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine (CID 162709897) is 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine.
What is the SMILES notation for 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine?
The canonical SMILES for 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine is [2H]C([2H])(c1ccnc(-c2cccc(C(C)(C)c3ccccc3)c2)c1)C(C)C.
What is the InChIKey of 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine?
The InChIKey is MCGREVLTOSZFOS-DOBBINOXSA-N. The full InChI is InChI=1S/C24H27N/c1-18(2)15-19-13-14-25-23(16-19)20-9-8-12-22(17-20)24(3,4)21-10-6-5-7-11-21/h5-14,16-18H,15H2,1-4H3/i15D2.
What are the key properties of 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine?
4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine has a molecular weight of 331.50 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine is sourced from PubChem (CID 162709897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).