3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide

C17H18N6O3 — CID 58243291

IUPAC3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide
SMILESCOc1cccc(-c2ccc3nc(NC(=O)NCCC(N)=O)cn3n2)c1
InChIInChI=1S/C17H18N6O3/c1-26-12-4-2-3-11(9-12)13-5-6-16-20-15(10-23(16)22-13)21-17(25)19-8-7-14(18)24/h2-6,9-10H,7-8H2,1H3,(H2,18,24)(H2,19,21,25)
InChIKeyOKGRAQTVFJFMLZ-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.40
Rot. Bonds6

About 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide

3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide (PubChem CID 58243291) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide.

Molecular Properties

Compound Name3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide
PubChem CID58243291
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide
SMILESCOc1cccc(-c2ccc3nc(NC(=O)NCCC(N)=O)cn3n2)c1
InChIInChI=1S/C17H18N6O3/c1-26-12-4-2-3-11(9-12)13-5-6-16-20-15(10-23(16)22-13)21-17(25)19-8-7-14(18)24/h2-6,9-10H,7-8H2,1H3,(H2,18,24)(H2,19,21,25)
InChIKeyOKGRAQTVFJFMLZ-UHFFFAOYSA-N
XLogP1.40
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide?
The IUPAC name of 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide (CID 58243291) is 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide.
What is the SMILES notation for 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide?
The canonical SMILES for 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide is COc1cccc(-c2ccc3nc(NC(=O)NCCC(N)=O)cn3n2)c1.
What is the InChIKey of 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide?
The InChIKey is OKGRAQTVFJFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-26-12-4-2-3-11(9-12)13-5-6-16-20-15(10-23(16)22-13)21-17(25)19-8-7-14(18)24/h2-6,9-10H,7-8H2,1H3,(H2,18,24)(H2,19,21,25).
What are the key properties of 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide?
3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide has a molecular weight of 354.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide is sourced from PubChem (CID 58243291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).