N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide

C20H17N5O — CID 59759712

IUPACN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3cccc(C)c3)nc3cccnn23)ccn1
InChIInChI=1S/C20H17N5O/c1-13-5-3-6-15(11-13)19-20(25-18(24-19)7-4-9-22-25)16-8-10-21-17(12-16)23-14(2)26/h3-12H,1-2H3,(H,21,23,26)
InChIKeyNPGHMQAPGQRPMZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.73
Rot. Bonds3

About N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide

N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide (PubChem CID 59759712) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide
PubChem CID59759712
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3cccc(C)c3)nc3cccnn23)ccn1
InChIInChI=1S/C20H17N5O/c1-13-5-3-6-15(11-13)19-20(25-18(24-19)7-4-9-22-25)16-8-10-21-17(12-16)23-14(2)26/h3-12H,1-2H3,(H,21,23,26)
InChIKeyNPGHMQAPGQRPMZ-UHFFFAOYSA-N
XLogP3.73
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide (CID 59759712) is N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3cccc(C)c3)nc3cccnn23)ccn1.
What is the InChIKey of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide?
The InChIKey is NPGHMQAPGQRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-5-3-6-15(11-13)19-20(25-18(24-19)7-4-9-22-25)16-8-10-21-17(12-16)23-14(2)26/h3-12H,1-2H3,(H,21,23,26).
What are the key properties of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide?
N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 59759712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).