N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide

C15H14N4O2S — CID 164631105

IUPACN-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccn[nH]1)c1cnc2ccsc2c1
InChIInChI=1S/C15H14N4O2S/c20-15(9-7-13-10(16-8-9)3-6-22-13)18-11-2-5-21-14(11)12-1-4-17-19-12/h1,3-4,6-8,11,14H,2,5H2,(H,17,19)(H,18,20)/t11-,14-/m0/s1
InChIKeyZVGGKTWJFCMAGG-FZMZJTMJSA-N
MW314.37 g/mol
LogP2.28
Rot. Bonds3

About N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide

N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 164631105) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide
PubChem CID164631105
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccn[nH]1)c1cnc2ccsc2c1
InChIInChI=1S/C15H14N4O2S/c20-15(9-7-13-10(16-8-9)3-6-22-13)18-11-2-5-21-14(11)12-1-4-17-19-12/h1,3-4,6-8,11,14H,2,5H2,(H,17,19)(H,18,20)/t11-,14-/m0/s1
InChIKeyZVGGKTWJFCMAGG-FZMZJTMJSA-N
XLogP2.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide (CID 164631105) is N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide is O=C(N[C@H]1CCO[C@@H]1c1ccn[nH]1)c1cnc2ccsc2c1.
What is the InChIKey of N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is ZVGGKTWJFCMAGG-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-15(9-7-13-10(16-8-9)3-6-22-13)18-11-2-5-21-14(11)12-1-4-17-19-12/h1,3-4,6-8,11,14H,2,5H2,(H,17,19)(H,18,20)/t11-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide?
N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 164631105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).