5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine

C21H17N7 — CID 6419426

IUPAC5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine
SMILESC=CCn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21
InChIInChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)
InChIKeyWHPQRPGHYADIAQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.58
Rot. Bonds4

About 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine

5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6419426) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6419426
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC Name5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine
SMILESC=CCn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21
InChIInChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)
InChIKeyWHPQRPGHYADIAQ-UHFFFAOYSA-N
XLogP3.58
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine (CID 6419426) is 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine is C=CCn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21.
What is the InChIKey of 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is WHPQRPGHYADIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26).
What are the key properties of 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine?
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 367.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enylpyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6419426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).