3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C26H26ClN3O3S — CID 146445064

IUPAC3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1C[C@H]1OCCN[C@@H]1C
InChIInChI=1S/C26H26ClN3O3S/c1-13-7-15(27)8-19(18(13)11-23-14(2)28-5-6-33-23)17-3-4-29-22-9-16(34-24(17)22)12-30-25(31)20-10-21(20)26(30)32/h3-4,7-9,14,20-21,23,28H,5-6,10-12H2,1-2H3/t14-,20?,21?,23-/m1/s1
InChIKeyQANIPMSZUGTHAV-IHDNSLFNSA-N
MW496.03 g/mol
LogP4.35
Rot. Bonds5

About 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 146445064) has the molecular formula C26H26ClN3O3S and a molecular weight of 496.03 g/mol. Its IUPAC name is 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID146445064
Molecular FormulaC26H26ClN3O3S
Molecular Weight496.03 g/mol
Exact Mass495.14
IUPAC Name3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1C[C@H]1OCCN[C@@H]1C
InChIInChI=1S/C26H26ClN3O3S/c1-13-7-15(27)8-19(18(13)11-23-14(2)28-5-6-33-23)17-3-4-29-22-9-16(34-24(17)22)12-30-25(31)20-10-21(20)26(30)32/h3-4,7-9,14,20-21,23,28H,5-6,10-12H2,1-2H3/t14-,20?,21?,23-/m1/s1
InChIKeyQANIPMSZUGTHAV-IHDNSLFNSA-N
XLogP4.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]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 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 146445064) is 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1C[C@H]1OCCN[C@@H]1C.
What is the InChIKey of 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is QANIPMSZUGTHAV-IHDNSLFNSA-N. The full InChI is InChI=1S/C26H26ClN3O3S/c1-13-7-15(27)8-19(18(13)11-23-14(2)28-5-6-33-23)17-3-4-29-22-9-16(34-24(17)22)12-30-25(31)20-10-21(20)26(30)32/h3-4,7-9,14,20-21,23,28H,5-6,10-12H2,1-2H3/t14-,20?,21?,23-/m1/s1.
What are the key properties of 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 496.03 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 146445064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).