N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C23H20F4N4OS — CID 55866760

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C23H20F4N4OS/c1-13-17-9-10-19(23(25,26)27)28-21(17)33-20(13)22(32)31(2)11-3-4-16-12-18(30-29-16)14-5-7-15(24)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,29,30)
InChIKeyMJENOTUWQUFVQH-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.86
Rot. Bonds6

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 55866760) has the molecular formula C23H20F4N4OS and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID55866760
Molecular FormulaC23H20F4N4OS
Molecular Weight476.50 g/mol
Exact Mass476.13
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C23H20F4N4OS/c1-13-17-9-10-19(23(25,26)27)28-21(17)33-20(13)22(32)31(2)11-3-4-16-12-18(30-29-16)14-5-7-15(24)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,29,30)
InChIKeyMJENOTUWQUFVQH-UHFFFAOYSA-N
XLogP5.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 55866760) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MJENOTUWQUFVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4OS/c1-13-17-9-10-19(23(25,26)27)28-21(17)33-20(13)22(32)31(2)11-3-4-16-12-18(30-29-16)14-5-7-15(24)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,29,30).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 55866760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).