2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide

C26H22N4O4S — CID 20767813

IUPAC2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H22N4O4S/c1-16-24(26(31)29-17-2-5-23(28-15-17)30-9-11-32-12-10-30)19-4-3-18(14-22(19)33-16)34-21-6-8-27-20-7-13-35-25(20)21/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyDOOWHGNLESJONB-UHFFFAOYSA-N
MW486.55 g/mol
LogP5.63
Rot. Bonds5

About 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide

2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide (PubChem CID 20767813) has the molecular formula C26H22N4O4S and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
PubChem CID20767813
Molecular FormulaC26H22N4O4S
Molecular Weight486.55 g/mol
Exact Mass486.14
IUPAC Name2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H22N4O4S/c1-16-24(26(31)29-17-2-5-23(28-15-17)30-9-11-32-12-10-30)19-4-3-18(14-22(19)33-16)34-21-6-8-27-20-7-13-35-25(20)21/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyDOOWHGNLESJONB-UHFFFAOYSA-N
XLogP5.63
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide (CID 20767813) is 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide is Cc1oc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?
The InChIKey is DOOWHGNLESJONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4S/c1-16-24(26(31)29-17-2-5-23(28-15-17)30-9-11-32-12-10-30)19-4-3-18(14-22(19)33-16)34-21-6-8-27-20-7-13-35-25(20)21/h2-8,13-15H,9-12H2,1H3,(H,29,31).
What are the key properties of 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 20767813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).