4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C37H32FN5O5S — CID 139511541

IUPAC4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1
InChIInChI=1S/C37H32FN5O5S/c1-2-47-31-13-15-43(26-6-4-3-5-7-26)37(45)34(31)36(44)41-25-9-11-30(27(38)20-25)48-32-12-14-39-29-21-33(49-35(29)32)28-10-8-24(22-40-28)23-42-16-18-46-19-17-42/h3-15,20-22H,2,16-19,23H2,1H3,(H,41,44)
InChIKeyQFVBULFWMRQZKW-UHFFFAOYSA-N
MW677.76 g/mol
LogP6.92
Rot. Bonds10

About 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide

4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 139511541) has the molecular formula C37H32FN5O5S and a molecular weight of 677.76 g/mol. Its IUPAC name is 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID139511541
Molecular FormulaC37H32FN5O5S
Molecular Weight677.76 g/mol
Exact Mass677.21
IUPAC Name4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1
InChIInChI=1S/C37H32FN5O5S/c1-2-47-31-13-15-43(26-6-4-3-5-7-26)37(45)34(31)36(44)41-25-9-11-30(27(38)20-25)48-32-12-14-39-29-21-33(49-35(29)32)28-10-8-24(22-40-28)23-42-16-18-46-19-17-42/h3-15,20-22H,2,16-19,23H2,1H3,(H,41,44)
InChIKeyQFVBULFWMRQZKW-UHFFFAOYSA-N
XLogP6.92
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.76
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 139511541) is 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide is CCOc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1.
What is the InChIKey of 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is QFVBULFWMRQZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32FN5O5S/c1-2-47-31-13-15-43(26-6-4-3-5-7-26)37(45)34(31)36(44)41-25-9-11-30(27(38)20-25)48-32-12-14-39-29-21-33(49-35(29)32)28-10-8-24(22-40-28)23-42-16-18-46-19-17-42/h3-15,20-22H,2,16-19,23H2,1H3,(H,41,44).
What are the key properties of 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 677.76 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139511541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).