N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide

C14H12N6O — CID 6539561

IUPACN-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nnc(-c3cccnc3)cc12)C1CC1
InChIInChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)
InChIKeyAGSPQSKJPUNTNL-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.76
Rot. Bonds3

About N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide

N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide (PubChem CID 6539561) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide
PubChem CID6539561
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nnc(-c3cccnc3)cc12)C1CC1
InChIInChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)
InChIKeyAGSPQSKJPUNTNL-UHFFFAOYSA-N
XLogP1.76
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide (CID 6539561) is N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide is O=C(Nc1n[nH]c2nnc(-c3cccnc3)cc12)C1CC1.
What is the InChIKey of N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide?
The InChIKey is AGSPQSKJPUNTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21).
What are the key properties of N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide?
N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridazin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 6539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).