1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea

C24H24FN5O3S — CID 25270230

IUPAC1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CNCCOC)cn4)sc23)c(F)c1
InChIInChI=1S/C24H24FN5O3S/c1-26-24(31)30-16-4-6-20(17(25)11-16)33-21-7-8-28-19-12-22(34-23(19)21)18-5-3-15(14-29-18)13-27-9-10-32-2/h3-8,11-12,14,27H,9-10,13H2,1-2H3,(H2,26,30,31)
InChIKeyISLPVXUAZMRCGZ-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.78
Rot. Bonds9

About 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea

1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea (PubChem CID 25270230) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea
PubChem CID25270230
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CNCCOC)cn4)sc23)c(F)c1
InChIInChI=1S/C24H24FN5O3S/c1-26-24(31)30-16-4-6-20(17(25)11-16)33-21-7-8-28-19-12-22(34-23(19)21)18-5-3-15(14-29-18)13-27-9-10-32-2/h3-8,11-12,14,27H,9-10,13H2,1-2H3,(H2,26,30,31)
InChIKeyISLPVXUAZMRCGZ-UHFFFAOYSA-N
XLogP4.78
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea?
The IUPAC name of 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea (CID 25270230) is 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea.
What is the SMILES notation for 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea?
The canonical SMILES for 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea is CNC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CNCCOC)cn4)sc23)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea?
The InChIKey is ISLPVXUAZMRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-26-24(31)30-16-4-6-20(17(25)11-16)33-21-7-8-28-19-12-22(34-23(19)21)18-5-3-15(14-29-18)13-27-9-10-32-2/h3-8,11-12,14,27H,9-10,13H2,1-2H3,(H2,26,30,31).
What are the key properties of 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea?
1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea has a molecular weight of 481.55 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylurea is sourced from PubChem (CID 25270230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).