1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea

C18H16FN3O2S — CID 71286419

IUPAC1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
SMILESCc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)cc3F)c2s1
InChIInChI=1S/C18H16FN3O2S/c1-10-8-14-17(25-10)16(6-7-20-14)24-15-5-4-12(9-13(15)19)22-18(23)21-11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,21,22,23)
InChIKeyQDWXDZJTUSXKMG-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.82
Rot. Bonds4

About 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea

1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea (PubChem CID 71286419) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
PubChem CID71286419
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
SMILESCc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)cc3F)c2s1
InChIInChI=1S/C18H16FN3O2S/c1-10-8-14-17(25-10)16(6-7-20-14)24-15-5-4-12(9-13(15)19)22-18(23)21-11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,21,22,23)
InChIKeyQDWXDZJTUSXKMG-UHFFFAOYSA-N
XLogP4.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[3-fluoro-4-[2-(6-formyl-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 86658597
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-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-[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-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-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67449770
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
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
ethyl 3-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]butanoate
CID 67443632

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea (CID 71286419) is 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea is Cc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)cc3F)c2s1.
What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?
The InChIKey is QDWXDZJTUSXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-10-8-14-17(25-10)16(6-7-20-14)24-15-5-4-12(9-13(15)19)22-18(23)21-11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,21,22,23).
What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?
1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea has a molecular weight of 357.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea is sourced from PubChem (CID 71286419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).