1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea

C23H26N4OS — CID 11956321

IUPAC1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1sc2cnccc2c1NC(=O)NC1CCc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C23H26N4OS/c1-15-22(19-9-10-24-14-21(19)29-15)26-23(28)25-20-8-5-16-13-17(6-7-18(16)20)27-11-3-2-4-12-27/h6-7,9-10,13-14,20H,2-5,8,11-12H2,1H3,(H2,25,26,28)
InChIKeyRNYUVQTVSVZLHW-UHFFFAOYSA-N
MW406.56 g/mol
LogP5.40
Rot. Bonds3

About 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea

1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 11956321) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID11956321
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1sc2cnccc2c1NC(=O)NC1CCc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C23H26N4OS/c1-15-22(19-9-10-24-14-21(19)29-15)26-23(28)25-20-8-5-16-13-17(6-7-18(16)20)27-11-3-2-4-12-27/h6-7,9-10,13-14,20H,2-5,8,11-12H2,1H3,(H2,25,26,28)
InChIKeyRNYUVQTVSVZLHW-UHFFFAOYSA-N
XLogP5.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea (CID 11956321) is 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea is Cc1sc2cnccc2c1NC(=O)NC1CCc2cc(N3CCCCC3)ccc21.
What is the InChIKey of 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is RNYUVQTVSVZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-15-22(19-9-10-24-14-21(19)29-15)26-23(28)25-20-8-5-16-13-17(6-7-18(16)20)27-11-3-2-4-12-27/h6-7,9-10,13-14,20H,2-5,8,11-12H2,1H3,(H2,25,26,28).
What are the key properties of 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 406.56 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 11956321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).