4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide

C30H23F3N4O2S — CID 162639595

IUPAC4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cccc(CCNC(=O)c2cc3c(-c4cccnc4)cncc3s2)c1
InChIInChI=1S/C30H23F3N4O2S/c31-30(32,33)25-9-2-1-6-22(25)16-37-28(38)20-7-3-5-19(13-20)10-12-36-29(39)26-14-23-24(17-35-18-27(23)40-26)21-8-4-11-34-15-21/h1-9,11,13-15,17-18H,10,12,16H2,(H,36,39)(H,37,38)
InChIKeyXSIZBBINFHSYCV-UHFFFAOYSA-N
MW560.60 g/mol
LogP6.28
Rot. Bonds8

About 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide

4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 162639595) has the molecular formula C30H23F3N4O2S and a molecular weight of 560.60 g/mol. Its IUPAC name is 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID162639595
Molecular FormulaC30H23F3N4O2S
Molecular Weight560.60 g/mol
Exact Mass560.15
IUPAC Name4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cccc(CCNC(=O)c2cc3c(-c4cccnc4)cncc3s2)c1
InChIInChI=1S/C30H23F3N4O2S/c31-30(32,33)25-9-2-1-6-22(25)16-37-28(38)20-7-3-5-19(13-20)10-12-36-29(39)26-14-23-24(17-35-18-27(23)40-26)21-8-4-11-34-15-21/h1-9,11,13-15,17-18H,10,12,16H2,(H,36,39)(H,37,38)
InChIKeyXSIZBBINFHSYCV-UHFFFAOYSA-N
XLogP6.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.60
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide 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 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide (CID 162639595) is 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cccc(CCNC(=O)c2cc3c(-c4cccnc4)cncc3s2)c1.
What is the InChIKey of 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is XSIZBBINFHSYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2S/c31-30(32,33)25-9-2-1-6-22(25)16-37-28(38)20-7-3-5-19(13-20)10-12-36-29(39)26-14-23-24(17-35-18-27(23)40-26)21-8-4-11-34-15-21/h1-9,11,13-15,17-18H,10,12,16H2,(H,36,39)(H,37,38).
What are the key properties of 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide?
4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 560.60 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-N-[2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]ethyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162639595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).