N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide

C22H20N6O — CID 7532653

IUPACN-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)C1CCCC1
InChIInChI=1S/C22H20N6O/c29-22(17-3-1-2-4-17)24-18-7-5-15(6-8-18)19-9-10-20-25-26-21(28(20)27-19)16-11-13-23-14-12-16/h5-14,17H,1-4H2,(H,24,29)
InChIKeyGGUPYCHTAPPWRH-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide

N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide (PubChem CID 7532653) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
PubChem CID7532653
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)C1CCCC1
InChIInChI=1S/C22H20N6O/c29-22(17-3-1-2-4-17)24-18-7-5-15(6-8-18)19-9-10-20-25-26-21(28(20)27-19)16-11-13-23-14-12-16/h5-14,17H,1-4H2,(H,24,29)
InChIKeyGGUPYCHTAPPWRH-UHFFFAOYSA-N
XLogP3.98
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
CID 7532593
3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873246
2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873184
2-ethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532665
2,6-dimethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873193
1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 121036873
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
CID 43971585
1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
CID 121036871
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036846
N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
CID 43971703
4-chloro-3-nitro-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873229

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide (CID 7532653) is N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)C1CCCC1.
What is the InChIKey of N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is GGUPYCHTAPPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(17-3-1-2-4-17)24-18-7-5-15(6-8-18)19-9-10-20-25-26-21(28(20)27-19)16-11-13-23-14-12-16/h5-14,17H,1-4H2,(H,24,29).
What are the key properties of N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 7532653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).