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

C18H17ClN4O2 — CID 123567605

IUPAC6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(N3CCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H17ClN4O2/c19-12-6-7-16-14(10-13-4-3-5-15(20-13)18(24)25)17(21-23(16)11-12)22-8-1-2-9-22/h3-7,11H,1-2,8-10H2,(H,24,25)
InChIKeyDBFPCHOWWWVVSU-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.27
Rot. Bonds4

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

6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 123567605) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID123567605
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(N3CCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H17ClN4O2/c19-12-6-7-16-14(10-13-4-3-5-15(20-13)18(24)25)17(21-23(16)11-12)22-8-1-2-9-22/h3-7,11H,1-2,8-10H2,(H,24,25)
InChIKeyDBFPCHOWWWVVSU-UHFFFAOYSA-N
XLogP3.27
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.27
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-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 123567605) is 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(N3CCCC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is DBFPCHOWWWVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-12-6-7-16-14(10-13-4-3-5-15(20-13)18(24)25)17(21-23(16)11-12)22-8-1-2-9-22/h3-7,11H,1-2,8-10H2,(H,24,25).
What are the key properties of 6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 3.27, 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-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123567605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).