N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide

C24H21N7O2 — CID 121149372

IUPACN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCc1cccn2cc(-c3ccccc3NC(=O)C(C)n3nc(-n4cccn4)ccc3=O)nc12
InChIInChI=1S/C24H21N7O2/c1-16-7-5-13-29-15-20(26-23(16)29)18-8-3-4-9-19(18)27-24(33)17(2)31-22(32)11-10-21(28-31)30-14-6-12-25-30/h3-15,17H,1-2H3,(H,27,33)
InChIKeyINGSHPPJMHRYPT-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide

N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (PubChem CID 121149372) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
PubChem CID121149372
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCc1cccn2cc(-c3ccccc3NC(=O)C(C)n3nc(-n4cccn4)ccc3=O)nc12
InChIInChI=1S/C24H21N7O2/c1-16-7-5-13-29-15-20(26-23(16)29)18-8-3-4-9-19(18)27-24(33)17(2)31-22(32)11-10-21(28-31)30-14-6-12-25-30/h3-15,17H,1-2H3,(H,27,33)
InChIKeyINGSHPPJMHRYPT-UHFFFAOYSA-N
XLogP3.25
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (CID 121149372) is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is Cc1cccn2cc(-c3ccccc3NC(=O)C(C)n3nc(-n4cccn4)ccc3=O)nc12.
What is the InChIKey of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The InChIKey is INGSHPPJMHRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-16-7-5-13-29-15-20(26-23(16)29)18-8-3-4-9-19(18)27-24(33)17(2)31-22(32)11-10-21(28-31)30-14-6-12-25-30/h3-15,17H,1-2H3,(H,27,33).
What are the key properties of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide has a molecular weight of 439.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121149372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).