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

C26H19N7O — CID 121036451

IUPAC2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C26H19N7O/c34-25(15-19-16-28-23-7-2-1-6-21(19)23)29-20-5-3-4-18(14-20)22-8-9-24-30-31-26(33(24)32-22)17-10-12-27-13-11-17/h1-14,16,28H,15H2,(H,29,34)
InChIKeyDSZKYUHWAYZXBI-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.52
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 121036451) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID121036451
Molecular FormulaC26H19N7O
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C26H19N7O/c34-25(15-19-16-28-23-7-2-1-6-21(19)23)29-20-5-3-4-18(14-20)22-8-9-24-30-31-26(33(24)32-22)17-10-12-27-13-11-17/h1-14,16,28H,15H2,(H,29,34)
InChIKeyDSZKYUHWAYZXBI-UHFFFAOYSA-N
XLogP4.52
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036769
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532699
2-phenoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873269
2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036434
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873265
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 32582075
4-bromo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873318
2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873368
2-methylsulfanyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036442
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258
2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873744

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 121036451) is 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is DSZKYUHWAYZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O/c34-25(15-19-16-28-23-7-2-1-6-21(19)23)29-20-5-3-4-18(14-20)22-8-9-24-30-31-26(33(24)32-22)17-10-12-27-13-11-17/h1-14,16,28H,15H2,(H,29,34).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 445.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 121036451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).