6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C18H12ClN3O3 — CID 123494981

IUPAC6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccoc3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H12ClN3O3/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24)
InChIKeyVVPINDCWCIBJTL-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.93
Rot. Bonds4

About 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 123494981) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID123494981
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccoc3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H12ClN3O3/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24)
InChIKeyVVPINDCWCIBJTL-UHFFFAOYSA-N
XLogP3.93
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 123494981) is 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3ccoc3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is VVPINDCWCIBJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24).
What are the key properties of 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 353.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123494981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).