1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea

C23H17FN4O3S — CID 86658597

IUPAC1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
SMILESO=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)cn1
InChIInChI=1S/C23H17FN4O3S/c24-17-9-15(28-23(30)27-14-3-4-14)5-6-19(17)31-20-7-8-25-18-10-21(32-22(18)20)13-1-2-16(12-29)26-11-13/h1-2,5-12,14H,3-4H2,(H2,27,28,30)
InChIKeyYHIFHJQJYSIODB-UHFFFAOYSA-N
MW448.48 g/mol
LogP5.39
Rot. Bonds6

About 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea

1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea (PubChem CID 86658597) has the molecular formula C23H17FN4O3S and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
PubChem CID86658597
Molecular FormulaC23H17FN4O3S
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC Name1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
SMILESO=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)cn1
InChIInChI=1S/C23H17FN4O3S/c24-17-9-15(28-23(30)27-14-3-4-14)5-6-19(17)31-20-7-8-25-18-10-21(32-22(18)20)13-1-2-16(12-29)26-11-13/h1-2,5-12,14H,3-4H2,(H2,27,28,30)
InChIKeyYHIFHJQJYSIODB-UHFFFAOYSA-N
XLogP5.39
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
CID 71286419
1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67442731
1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67444235
N-[[4-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide
CID 67443227
1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(pyrrolidine-1-carbonyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67442530
1-[4-[2-[5-[(4-aminopiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 67443027
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 86658603
1-cyclopropyl-3-[4-[2-[5-[[4-[3-(dimethylamino)propyl]anilino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea
CID 67442602
tert-butyl 4-[2-[4-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]piperazine-1-carboxylate
CID 67440535
tert-butyl 2-[[4-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]methyl-methylamino]ethyl carbonate
CID 67441185
1-cyclopropyl-3-[3-fluoro-4-[2-[3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 123550647
1-[4-[2-[5-[(4-amino-2-methyl-3-oxocycloheptyl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 123638388

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea (CID 86658597) is 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea is O=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)cn1.
What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea?
The InChIKey is YHIFHJQJYSIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S/c24-17-9-15(28-23(30)27-14-3-4-14)5-6-19(17)31-20-7-8-25-18-10-21(32-22(18)20)13-1-2-16(12-29)26-11-13/h1-2,5-12,14H,3-4H2,(H2,27,28,30).
What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea?
1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea has a molecular weight of 448.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea is sourced from PubChem (CID 86658597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).