7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

C18H12ClF2N3O2S — CID 25189755

IUPAC7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2cc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C18H12ClF2N3O2S/c19-18(20,21)16-8-11(15-4-1-5-26-15)7-12-9-14(23-24(12)16)17(25)22-10-13-3-2-6-27-13/h1-9H,10H2,(H,22,25)
InChIKeyCLUNFVBKWWFNOA-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.87
Rot. Bonds5

About 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 25189755) has the molecular formula C18H12ClF2N3O2S and a molecular weight of 407.83 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID25189755
Molecular FormulaC18H12ClF2N3O2S
Molecular Weight407.83 g/mol
Exact Mass407.03
IUPAC Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2cc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C18H12ClF2N3O2S/c19-18(20,21)16-8-11(15-4-1-5-26-15)7-12-9-14(23-24(12)16)17(25)22-10-13-3-2-6-27-13/h1-9H,10H2,(H,22,25)
InChIKeyCLUNFVBKWWFNOA-UHFFFAOYSA-N
XLogP4.87
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 25189755) is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCc1cccs1)c1cc2cc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is CLUNFVBKWWFNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2S/c19-18(20,21)16-8-11(15-4-1-5-26-15)7-12-9-14(23-24(12)16)17(25)22-10-13-3-2-6-27-13/h1-9H,10H2,(H,22,25).
What are the key properties of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 25189755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).