N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H16F2N6O3S — CID 165143262

IUPACN-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cncc(OC(F)F)c1)c1csc2c1CCN(C(=O)c1cnn3ccncc13)C2
InChIInChI=1S/C21H16F2N6O3S/c22-21(23)32-13-5-12(6-25-7-13)27-19(30)16-11-33-18-10-28(3-1-14(16)18)20(31)15-8-26-29-4-2-24-9-17(15)29/h2,4-9,11,21H,1,3,10H2,(H,27,30)
InChIKeyGPXRRQXQSXUBFI-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.24
Rot. Bonds5

About N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143262) has the molecular formula C21H16F2N6O3S and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143262
Molecular FormulaC21H16F2N6O3S
Molecular Weight470.46 g/mol
Exact Mass470.10
IUPAC NameN-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cncc(OC(F)F)c1)c1csc2c1CCN(C(=O)c1cnn3ccncc13)C2
InChIInChI=1S/C21H16F2N6O3S/c22-21(23)32-13-5-12(6-25-7-13)27-19(30)16-11-33-18-10-28(3-1-14(16)18)20(31)15-8-26-29-4-2-24-9-17(15)29/h2,4-9,11,21H,1,3,10H2,(H,27,30)
InChIKeyGPXRRQXQSXUBFI-UHFFFAOYSA-N
XLogP3.24
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165143262) is N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1cncc(OC(F)F)c1)c1csc2c1CCN(C(=O)c1cnn3ccncc13)C2.
What is the InChIKey of N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is GPXRRQXQSXUBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O3S/c22-21(23)32-13-5-12(6-25-7-13)27-19(30)16-11-33-18-10-28(3-1-14(16)18)20(31)15-8-26-29-4-2-24-9-17(15)29/h2,4-9,11,21H,1,3,10H2,(H,27,30).
What are the key properties of N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethoxy)-3-pyridinyl]-6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).