N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C22H17F4N5O2S — CID 170560752

About N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 170560752) has the molecular formula C22H17F4N5O2S and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 170560752
• Molecular Formula: C22H17F4N5O2S
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.10
• IUPAC Name: N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: O=C(Nc1cc(F)cc(OC(F)(F)F)c1)c1csc2c1CCN(Cc1cnc3[nH]ncc3c1)C2
• InChI: InChI=1S/C22H17F4N5O2S/c23-14-4-15(6-16(5-14)33-22(24,25)26)29-21(32)18-11-34-19-10-31(2-1-17(18)19)9-12-3-13-8-28-30-20(13)27-7-12/h3-8,11H,1-2,9-10H2,(H,29,32)(H,27,28,30)
• InChIKey: YJPAVGUQVQVAAK-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 170560752) is N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1cc(F)cc(OC(F)(F)F)c1)c1csc2c1CCN(Cc1cnc3[nH]ncc3c1)C2.

What is the InChIKey of N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is YJPAVGUQVQVAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2S/c23-14-4-15(6-16(5-14)33-22(24,25)26)29-21(32)18-11-34-19-10-31(2-1-17(18)19)9-12-3-13-8-28-30-20(13)27-7-12/h3-8,11H,1-2,9-10H2,(H,29,32)(H,27,28,30).

What are the key properties of N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-(trifluoromethoxy)phenyl]-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170560752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).