6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide

C15H11ClN4O3 — CID 87051162

IUPAC6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C15H11ClN4O3/c16-13-3-4-14-18-10(8-20(14)19-13)15(21)17-9-1-2-11-12(7-9)23-6-5-22-11/h1-4,7-8H,5-6H2,(H,17,21)
InChIKeyKZCHHKBJYUXGAP-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.41
Rot. Bonds2

About 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051162) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051162
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C15H11ClN4O3/c16-13-3-4-14-18-10(8-20(14)19-13)15(21)17-9-1-2-11-12(7-9)23-6-5-22-11/h1-4,7-8H,5-6H2,(H,17,21)
InChIKeyKZCHHKBJYUXGAP-UHFFFAOYSA-N
XLogP2.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179890
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 20930304
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
5,7-bis(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447565
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 110372991
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 87051162) is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cn2nc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is KZCHHKBJYUXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-13-3-4-14-18-10(8-20(14)19-13)15(21)17-9-1-2-11-12(7-9)23-6-5-22-11/h1-4,7-8H,5-6H2,(H,17,21).
What are the key properties of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 330.73 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).