6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C26H28N4O3S — CID 168844334

IUPAC6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1ccnc(CC2CNCCO2)c1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12
InChIInChI=1S/C26H28N4O3S/c1-14-4-6-28-18(10-15-12-27-8-9-33-15)20(14)17-5-7-29-19-11-16(34-23(17)19)13-30-24(31)21-22(25(30)32)26(21,2)3/h4-7,11,15,21-22,27H,8-10,12-13H2,1-3H3
InChIKeyCDCHEGFVGVZQJK-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.34
Rot. Bonds5

About 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 168844334) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID168844334
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1ccnc(CC2CNCCO2)c1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12
InChIInChI=1S/C26H28N4O3S/c1-14-4-6-28-18(10-15-12-27-8-9-33-15)20(14)17-5-7-29-19-11-16(34-23(17)19)13-30-24(31)21-22(25(30)32)26(21,2)3/h4-7,11,15,21-22,27H,8-10,12-13H2,1-3H3
InChIKeyCDCHEGFVGVZQJK-UHFFFAOYSA-N
XLogP3.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 168844334) is 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is Cc1ccnc(CC2CNCCO2)c1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12.
What is the InChIKey of 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is CDCHEGFVGVZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-14-4-6-28-18(10-15-12-27-8-9-33-15)20(14)17-5-7-29-19-11-16(34-23(17)19)13-30-24(31)21-22(25(30)32)26(21,2)3/h4-7,11,15,21-22,27H,8-10,12-13H2,1-3H3.
What are the key properties of 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 476.60 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 168844334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).