N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide

C20H21FN6O — CID 134801026

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C20H21FN6O/c21-15-5-1-13(2-6-15)11-19(28)22-16-9-10-26(12-16)18-8-7-17-23-24-20(14-3-4-14)27(17)25-18/h1-2,5-8,14,16H,3-4,9-12H2,(H,22,28)
InChIKeyHGONWZJGNXAELT-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.08
Rot. Bonds5

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 134801026) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID134801026
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C20H21FN6O/c21-15-5-1-13(2-6-15)11-19(28)22-16-9-10-26(12-16)18-8-7-17-23-24-20(14-3-4-14)27(17)25-18/h1-2,5-8,14,16H,3-4,9-12H2,(H,22,28)
InChIKeyHGONWZJGNXAELT-UHFFFAOYSA-N
XLogP2.08
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide (CID 134801026) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is HGONWZJGNXAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-15-5-1-13(2-6-15)11-19(28)22-16-9-10-26(12-16)18-8-7-17-23-24-20(14-3-4-14)27(17)25-18/h1-2,5-8,14,16H,3-4,9-12H2,(H,22,28).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 134801026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).