N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide

C21H17ClN6O — CID 71525583

IUPACN-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCC2)n1)c1cnc2ccc(-c3ccccc3Cl)nn12
InChIInChI=1S/C21H17ClN6O/c22-15-6-2-1-5-14(15)16-9-10-19-23-13-17(28(19)26-16)21(29)25-18-7-3-8-20(24-18)27-11-4-12-27/h1-3,5-10,13H,4,11-12H2,(H,24,25,29)
InChIKeyGHZXVZPKNVOETE-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.91
Rot. Bonds4

About N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide

N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 71525583) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID71525583
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC NameN-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCC2)n1)c1cnc2ccc(-c3ccccc3Cl)nn12
InChIInChI=1S/C21H17ClN6O/c22-15-6-2-1-5-14(15)16-9-10-19-23-13-17(28(19)26-16)21(29)25-18-7-3-8-20(24-18)27-11-4-12-27/h1-3,5-10,13H,4,11-12H2,(H,24,25,29)
InChIKeyGHZXVZPKNVOETE-UHFFFAOYSA-N
XLogP3.91
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 71525583) is N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1cccc(N2CCC2)n1)c1cnc2ccc(-c3ccccc3Cl)nn12.
What is the InChIKey of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GHZXVZPKNVOETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c22-15-6-2-1-5-14(15)16-9-10-19-23-13-17(28(19)26-16)21(29)25-18-7-3-8-20(24-18)27-11-4-12-27/h1-3,5-10,13H,4,11-12H2,(H,24,25,29).
What are the key properties of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 71525583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).