10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene

C22H20N2OS — CID 162777079

IUPAC10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
SMILES[2H]C([2H])([2H])c1cc2oc3ccc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)c4sc(n1)c2c34
InChIInChI=1S/C22H20N2OS/c1-12-9-17-19-18-16(25-17)6-5-14(20(18)26-21(19)24-12)15-10-13(7-8-23-15)11-22(2,3)4/h5-10H,11H2,1-4H3/i1D3,11D2
InChIKeyOBENEHBKQGPABZ-JIZANVDTSA-N
MW365.51 g/mol
LogP6.59
Rot. Bonds3

About 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene

10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene (PubChem CID 162777079) has the molecular formula C22H20N2OS and a molecular weight of 365.51 g/mol. Its IUPAC name is 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene.

Molecular Properties

Compound Name10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
PubChem CID162777079
Molecular FormulaC22H20N2OS
Molecular Weight365.51 g/mol
Exact Mass365.16
IUPAC Name10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
SMILES[2H]C([2H])([2H])c1cc2oc3ccc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)c4sc(n1)c2c34
InChIInChI=1S/C22H20N2OS/c1-12-9-17-19-18-16(25-17)6-5-14(20(18)26-21(19)24-12)15-10-13(7-8-23-15)11-22(2,3)4/h5-10H,11H2,1-4H3/i1D3,11D2
InChIKeyOBENEHBKQGPABZ-JIZANVDTSA-N
XLogP6.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.51
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene 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

9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-15-oxa-4,7-diazatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 162777250
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-14-oxa-6-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
CID 162777386
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930
CID 162777290
CID 162777290
8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 155611056
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
CID 162777281
CID 162777281
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-5-(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 163563877
CID 162777121
CID 162777121

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?
The IUPAC name of 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene (CID 162777079) is 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene.
What is the SMILES notation for 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?
The canonical SMILES for 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene is [2H]C([2H])([2H])c1cc2oc3ccc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)c4sc(n1)c2c34.
What is the InChIKey of 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?
The InChIKey is OBENEHBKQGPABZ-JIZANVDTSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-12-9-17-19-18-16(25-17)6-5-14(20(18)26-21(19)24-12)15-10-13(7-8-23-15)11-22(2,3)4/h5-10H,11H2,1-4H3/i1D3,11D2.
What are the key properties of 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene has a molecular weight of 365.51 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-3-(trideuteriomethyl)-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene is sourced from PubChem (CID 162777079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).