ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C20H19N3O2 — CID 155739153

IUPACethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1cnn2cccc(Cc3cc4ccccc4cn3)c12
InChIInChI=1S/C18H13N3O2.C2H6/c22-18(23)16-11-20-21-7-3-6-13(17(16)21)9-15-8-12-4-1-2-5-14(12)10-19-15;1-2/h1-8,10-11H,9H2,(H,22,23);1-2H3
InChIKeyBIGDIXRTAWVFFO-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.20
Rot. Bonds3

About ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 155739153) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID155739153
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Nameethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1cnn2cccc(Cc3cc4ccccc4cn3)c12
InChIInChI=1S/C18H13N3O2.C2H6/c22-18(23)16-11-20-21-7-3-6-13(17(16)21)9-15-8-12-4-1-2-5-14(12)10-19-15;1-2/h1-8,10-11H,9H2,(H,22,23);1-2H3
InChIKeyBIGDIXRTAWVFFO-UHFFFAOYSA-N
XLogP4.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 155739153) is ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is CC.O=C(O)c1cnn2cccc(Cc3cc4ccccc4cn3)c12.
What is the InChIKey of ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is BIGDIXRTAWVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2.C2H6/c22-18(23)16-11-20-21-7-3-6-13(17(16)21)9-15-8-12-4-1-2-5-14(12)10-19-15;1-2/h1-8,10-11H,9H2,(H,22,23);1-2H3.
What are the key properties of ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 155739153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).