2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

C19H17N5O — CID 19008993

IUPAC2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESNCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C19H17N5O/c20-11-13-24-17(25)10-9-15(21-24)18-16-8-4-5-12-23(16)22-19(18)14-6-2-1-3-7-14/h1-10,12H,11,13,20H2
InChIKeyKJYGNRVNNRBBRM-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.18
Rot. Bonds4

About 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 19008993) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID19008993
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESNCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C19H17N5O/c20-11-13-24-17(25)10-9-15(21-24)18-16-8-4-5-12-23(16)22-19(18)14-6-2-1-3-7-14/h1-10,12H,11,13,20H2
InChIKeyKJYGNRVNNRBBRM-UHFFFAOYSA-N
XLogP2.18
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 19008993) is 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is NCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is KJYGNRVNNRBBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-11-13-24-17(25)10-9-15(21-24)18-16-8-4-5-12-23(16)22-19(18)14-6-2-1-3-7-14/h1-10,12H,11,13,20H2.
What are the key properties of 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 331.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 19008993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).