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

C22H22N6O — CID 59759518

IUPAC1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea
SMILESCCCNC(=O)Nc1cc(-c2c(-c3cccc(C)c3)nc3cccnn23)ccn1
InChIInChI=1S/C22H22N6O/c1-3-10-24-22(29)26-18-14-17(9-12-23-18)21-20(16-7-4-6-15(2)13-16)27-19-8-5-11-25-28(19)21/h4-9,11-14H,3,10H2,1-2H3,(H2,23,24,26,29)
InChIKeyBNNLMTNVEIRNHG-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.30
Rot. Bonds5

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

1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea (PubChem CID 59759518) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea
PubChem CID59759518
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea
SMILESCCCNC(=O)Nc1cc(-c2c(-c3cccc(C)c3)nc3cccnn23)ccn1
InChIInChI=1S/C22H22N6O/c1-3-10-24-22(29)26-18-14-17(9-12-23-18)21-20(16-7-4-6-15(2)13-16)27-19-8-5-11-25-28(19)21/h4-9,11-14H,3,10H2,1-2H3,(H2,23,24,26,29)
InChIKeyBNNLMTNVEIRNHG-UHFFFAOYSA-N
XLogP4.30
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea?
The IUPAC name of 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea (CID 59759518) is 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea.
What is the SMILES notation for 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea?
The canonical SMILES for 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea is CCCNC(=O)Nc1cc(-c2c(-c3cccc(C)c3)nc3cccnn23)ccn1.
What is the InChIKey of 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea?
The InChIKey is BNNLMTNVEIRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-3-10-24-22(29)26-18-14-17(9-12-23-18)21-20(16-7-4-6-15(2)13-16)27-19-8-5-11-25-28(19)21/h4-9,11-14H,3,10H2,1-2H3,(H2,23,24,26,29).
What are the key properties of 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea?
1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea has a molecular weight of 386.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-propylurea is sourced from PubChem (CID 59759518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).