4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide

C22H22FN5O5S — CID 146653124

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)C3=CC=C(N4C(=O)CCC4=O)CC3)nc12
InChIInChI=1S/C22H22FN5O5S/c1-32-21-16-18(17(19(23)25-21)27-8-10-33-11-9-27)34-22(24-16)26-20(31)12-2-4-13(5-3-12)28-14(29)6-7-15(28)30/h2,4H,3,5-11H2,1H3,(H,24,26,31)
InChIKeyFIUFJVXOZWUBFA-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.37
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 146653124) has the molecular formula C22H22FN5O5S and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID146653124
Molecular FormulaC22H22FN5O5S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)C3=CC=C(N4C(=O)CCC4=O)CC3)nc12
InChIInChI=1S/C22H22FN5O5S/c1-32-21-16-18(17(19(23)25-21)27-8-10-33-11-9-27)34-22(24-16)26-20(31)12-2-4-13(5-3-12)28-14(29)6-7-15(28)30/h2,4H,3,5-11H2,1H3,(H,24,26,31)
InChIKeyFIUFJVXOZWUBFA-UHFFFAOYSA-N
XLogP2.37
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide (CID 146653124) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide is COc1nc(F)c(N2CCOCC2)c2sc(NC(=O)C3=CC=C(N4C(=O)CCC4=O)CC3)nc12.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is FIUFJVXOZWUBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O5S/c1-32-21-16-18(17(19(23)25-21)27-8-10-33-11-9-27)34-22(24-16)26-20(31)12-2-4-13(5-3-12)28-14(29)6-7-15(28)30/h2,4H,3,5-11H2,1H3,(H,24,26,31).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 146653124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).