4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine

C23H19NOS — CID 165170605

IUPAC4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c4cc(C)ccc4oc32)c1
InChIInChI=1S/C23H19NOS/c1-13(2)15-9-10-24-19(12-15)16-5-4-6-17-21-23(26-22(16)17)18-11-14(3)7-8-20(18)25-21/h4-13H,1-3H3/i13D
InChIKeyYGAMXOAGELIHMC-YSOHJTORSA-N
MW358.48 g/mol
LogP7.29
Rot. Bonds2

About 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine (PubChem CID 165170605) has the molecular formula C23H19NOS and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
PubChem CID165170605
Molecular FormulaC23H19NOS
Molecular Weight358.48 g/mol
Exact Mass358.13
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c4cc(C)ccc4oc32)c1
InChIInChI=1S/C23H19NOS/c1-13(2)15-9-10-24-19(12-15)16-5-4-6-17-21-23(26-22(16)17)18-11-14(3)7-8-20(18)25-21/h4-13H,1-3H3/i13D
InChIKeyYGAMXOAGELIHMC-YSOHJTORSA-N
XLogP7.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 156686701
4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165171153
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine (CID 165170605) is 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c4cc(C)ccc4oc32)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
The InChIKey is YGAMXOAGELIHMC-YSOHJTORSA-N. The full InChI is InChI=1S/C23H19NOS/c1-13(2)15-9-10-24-19(12-15)16-5-4-6-17-21-23(26-22(16)17)18-11-14(3)7-8-20(18)25-21/h4-13H,1-3H3/i13D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine has a molecular weight of 358.48 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine is sourced from PubChem (CID 165170605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).