N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C37H31ClFN5O5S — CID 139513329

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

N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 139513329) has the molecular formula C37H31ClFN5O5S and a molecular weight of 712.20 g/mol. Its IUPAC name is N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 139513329
• Molecular Formula: C37H31ClFN5O5S
• Molecular Weight: 712.20 g/mol
• Exact Mass: 711.17
• IUPAC Name: N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)cc1Cl
• InChI: InChI=1S/C37H31ClFN5O5S/c1-2-48-31-12-14-44(25-6-4-24(39)5-7-25)37(46)34(31)36(45)42-28-10-8-26(19-27(28)38)49-32-11-13-40-30-20-33(50-35(30)32)29-9-3-23(21-41-29)22-43-15-17-47-18-16-43/h3-14,19-21H,2,15-18,22H2,1H3,(H,42,45)
• InChIKey: UVBHKULZWFACFT-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 107.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.20
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 139513329) is N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)cc1Cl.

What is the InChIKey of N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is UVBHKULZWFACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31ClFN5O5S/c1-2-48-31-12-14-44(25-6-4-24(39)5-7-25)37(46)34(31)36(45)42-28-10-8-26(19-27(28)38)49-32-11-13-40-30-20-33(50-35(30)32)29-9-3-23(21-41-29)22-43-15-17-47-18-16-43/h3-14,19-21H,2,15-18,22H2,1H3,(H,42,45).

What are the key properties of N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 712.20 g/mol, XLogP of 7.58, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 139513329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).