N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C16H15F3N6O2S — CID 166109411

IUPACN-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCn1cc(NC(=O)CN2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cn1
InChIInChI=1S/C16H15F3N6O2S/c1-24-7-10(5-20-24)21-13(26)8-25-3-2-11-9(6-25)4-12(28-11)14-22-15(27-23-14)16(17,18)19/h4-5,7H,2-3,6,8H2,1H3,(H,21,26)
InChIKeyQDTMOVKYQSTWDX-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.55
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 166109411) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID166109411
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC NameN-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCn1cc(NC(=O)CN2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cn1
InChIInChI=1S/C16H15F3N6O2S/c1-24-7-10(5-20-24)21-13(26)8-25-3-2-11-9(6-25)4-12(28-11)14-22-15(27-23-14)16(17,18)19/h4-5,7H,2-3,6,8H2,1H3,(H,21,26)
InChIKeyQDTMOVKYQSTWDX-UHFFFAOYSA-N
XLogP2.55
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 166109411) is N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is Cn1cc(NC(=O)CN2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is QDTMOVKYQSTWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c1-24-7-10(5-20-24)21-13(26)8-25-3-2-11-9(6-25)4-12(28-11)14-22-15(27-23-14)16(17,18)19/h4-5,7H,2-3,6,8H2,1H3,(H,21,26).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 412.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 166109411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).