N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide

C20H26N4O2S — CID 42238574

IUPACN-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)C1
InChIInChI=1S/C20H26N4O2S/c1-19(2)6-16-7-20(3,12-19)13-24(16)17(25)10-23-9-15(8-21-23)22-18(26)14-4-5-27-11-14/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3,(H,22,26)/t16-,20-/m1/s1
InChIKeyUASIZMOBFYGWBZ-OXQOHEQNSA-N
MW386.52 g/mol
LogP3.62
Rot. Bonds4

About N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide

N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 42238574) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID42238574
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)C1
InChIInChI=1S/C20H26N4O2S/c1-19(2)6-16-7-20(3,12-19)13-24(16)17(25)10-23-9-15(8-21-23)22-18(26)14-4-5-27-11-14/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3,(H,22,26)/t16-,20-/m1/s1
InChIKeyUASIZMOBFYGWBZ-OXQOHEQNSA-N
XLogP3.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide (CID 42238574) is N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide is CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)C1.
What is the InChIKey of N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is UASIZMOBFYGWBZ-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-19(2)6-16-7-20(3,12-19)13-24(16)17(25)10-23-9-15(8-21-23)22-18(26)14-4-5-27-11-14/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3,(H,22,26)/t16-,20-/m1/s1.
What are the key properties of N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide?
N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 42238574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).