1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea

C23H18FN3O2S — CID 11582499

IUPAC1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)NC1CC1c1ccccc1
InChIInChI=1S/C23H18FN3O2S/c24-17-12-15(26-23(28)27-19-13-16(19)14-4-2-1-3-5-14)6-7-20(17)29-21-8-10-25-18-9-11-30-22(18)21/h1-12,16,19H,13H2,(H2,26,27,28)
InChIKeyZCYRUSHHGCLGOQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.91
Rot. Bonds5

About 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea

1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea (PubChem CID 11582499) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea
PubChem CID11582499
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)NC1CC1c1ccccc1
InChIInChI=1S/C23H18FN3O2S/c24-17-12-15(26-23(28)27-19-13-16(19)14-4-2-1-3-5-14)6-7-20(17)29-21-8-10-25-18-9-11-30-22(18)21/h1-12,16,19H,13H2,(H2,26,27,28)
InChIKeyZCYRUSHHGCLGOQ-UHFFFAOYSA-N
XLogP5.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea (CID 11582499) is 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea is O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)NC1CC1c1ccccc1.
What is the InChIKey of 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is ZCYRUSHHGCLGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-17-12-15(26-23(28)27-19-13-16(19)14-4-2-1-3-5-14)6-7-20(17)29-21-8-10-25-18-9-11-30-22(18)21/h1-12,16,19H,13H2,(H2,26,27,28).
What are the key properties of 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea?
1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 419.48 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 11582499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).