N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C18H19N5O2 — CID 122277985

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H19N5O2/c1-12-17(22-10-3-2-4-15(22)20-12)18(25)19-9-11-23-16(24)8-7-14(21-23)13-5-6-13/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,19,25)
InChIKeyRCPJCTKCCJXIJF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.51
Rot. Bonds5

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122277985) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122277985
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H19N5O2/c1-12-17(22-10-3-2-4-15(22)20-12)18(25)19-9-11-23-16(24)8-7-14(21-23)13-5-6-13/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,19,25)
InChIKeyRCPJCTKCCJXIJF-UHFFFAOYSA-N
XLogP1.51
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 122277985) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RCPJCTKCCJXIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-17(22-10-3-2-4-15(22)20-12)18(25)19-9-11-23-16(24)8-7-14(21-23)13-5-6-13/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,19,25).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122277985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).