4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C20H19F3N4O2S — CID 52948596

IUPAC4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)29-13-5-3-11(4-6-13)16-8-14-17(30-16)15(18(24)28)10-26-19(14)27-12-2-1-7-25-9-12/h3-6,8,10,12,25H,1-2,7,9H2,(H2,24,28)(H,26,27)/t12-/m0/s1
InChIKeyWVGYTBUQEBIZLW-LBPRGKRZSA-N
MW436.46 g/mol
LogP4.12
Rot. Bonds5

About 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52948596) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52948596
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)29-13-5-3-11(4-6-13)16-8-14-17(30-16)15(18(24)28)10-26-19(14)27-12-2-1-7-25-9-12/h3-6,8,10,12,25H,1-2,7,9H2,(H2,24,28)(H,26,27)/t12-/m0/s1
InChIKeyWVGYTBUQEBIZLW-LBPRGKRZSA-N
XLogP4.12
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-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-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 52948596) is 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WVGYTBUQEBIZLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)29-13-5-3-11(4-6-13)16-8-14-17(30-16)15(18(24)28)10-26-19(14)27-12-2-1-7-25-9-12/h3-6,8,10,12,25H,1-2,7,9H2,(H2,24,28)(H,26,27)/t12-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52948596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).