6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide

C44H44Cl2N6O8S2 — CID 159285717

IUPAC6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide
SMILESC[C@@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(N3CCOCC3)cc2O1.C[C@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/2C22H22ClN3O4S/c2*1-22(12-27)9-13-6-16(17(8-18(13)30-22)26-2-4-29-5-3-26)25-21(28)15-11-31-19-7-14(23)10-24-20(15)19/h2*6-8,10-11,27H,2-5,9,12H2,1H3,(H,25,28)/t2*22-/m10/s1
InChIKeyKZMGQMBBLXBXSM-IKXJNKEISA-N
MW919.91 g/mol
LogP7.45
Rot. Bonds8

About 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide

6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 159285717) has the molecular formula C44H44Cl2N6O8S2 and a molecular weight of 919.91 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide
PubChem CID159285717
Molecular FormulaC44H44Cl2N6O8S2
Molecular Weight919.91 g/mol
Exact Mass918.20
IUPAC Name6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide
SMILESC[C@@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(N3CCOCC3)cc2O1.C[C@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/2C22H22ClN3O4S/c2*1-22(12-27)9-13-6-16(17(8-18(13)30-22)26-2-4-29-5-3-26)25-21(28)15-11-31-19-7-14(23)10-24-20(15)19/h2*6-8,10-11,27H,2-5,9,12H2,1H3,(H,25,28)/t2*22-/m10/s1
InChIKeyKZMGQMBBLXBXSM-IKXJNKEISA-N
XLogP7.45
TPSA167.84 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.91
LogP ≤ 57.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide (CID 159285717) is 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide is C[C@@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(N3CCOCC3)cc2O1.C[C@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is KZMGQMBBLXBXSM-IKXJNKEISA-N. The full InChI is InChI=1S/2C22H22ClN3O4S/c2*1-22(12-27)9-13-6-16(17(8-18(13)30-22)26-2-4-29-5-3-26)25-21(28)15-11-31-19-7-14(23)10-24-20(15)19/h2*6-8,10-11,27H,2-5,9,12H2,1H3,(H,25,28)/t2*22-/m10/s1.
What are the key properties of 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide?
6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 919.91 g/mol, XLogP of 7.45, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 159285717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).