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

C23H19N3O2S — CID 11611059

IUPAC1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)NC1CC1c1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-23(26-20-14-18(20)15-4-2-1-3-5-15)25-16-6-8-17(9-7-16)28-21-10-12-24-19-11-13-29-22(19)21/h1-13,18,20H,14H2,(H2,25,26,27)
InChIKeyLQBCMMHTJOFOGM-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.77
Rot. Bonds5

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

1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea (PubChem CID 11611059) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea
PubChem CID11611059
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)NC1CC1c1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-23(26-20-14-18(20)15-4-2-1-3-5-15)25-16-6-8-17(9-7-16)28-21-10-12-24-19-11-13-29-22(19)21/h1-13,18,20H,14H2,(H2,25,26,27)
InChIKeyLQBCMMHTJOFOGM-UHFFFAOYSA-N
XLogP5.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea?
The IUPAC name of 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea (CID 11611059) is 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea?
The canonical SMILES for 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea is O=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)NC1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea?
The InChIKey is LQBCMMHTJOFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-23(26-20-14-18(20)15-4-2-1-3-5-15)25-16-6-8-17(9-7-16)28-21-10-12-24-19-11-13-29-22(19)21/h1-13,18,20H,14H2,(H2,25,26,27).
What are the key properties of 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea?
1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea has a molecular weight of 401.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea is sourced from PubChem (CID 11611059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).