6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H18F2N6O — CID 126708580

IUPAC6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCNc1cccc(NC(=O)c2cnc3ccc(-c4c(F)cccc4F)nn23)n1
InChIInChI=1S/C21H18F2N6O/c1-2-11-24-17-7-4-8-18(26-17)27-21(30)16-12-25-19-10-9-15(28-29(16)19)20-13(22)5-3-6-14(20)23/h3-10,12H,2,11H2,1H3,(H2,24,26,27,30)
InChIKeyDLEYLMCYVWVXLW-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.14
Rot. Bonds6

About 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide

6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126708580) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126708580
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCNc1cccc(NC(=O)c2cnc3ccc(-c4c(F)cccc4F)nn23)n1
InChIInChI=1S/C21H18F2N6O/c1-2-11-24-17-7-4-8-18(26-17)27-21(30)16-12-25-19-10-9-15(28-29(16)19)20-13(22)5-3-6-14(20)23/h3-10,12H,2,11H2,1H3,(H2,24,26,27,30)
InChIKeyDLEYLMCYVWVXLW-UHFFFAOYSA-N
XLogP4.14
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 126708580) is 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide is CCCNc1cccc(NC(=O)c2cnc3ccc(-c4c(F)cccc4F)nn23)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DLEYLMCYVWVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O/c1-2-11-24-17-7-4-8-18(26-17)27-21(30)16-12-25-19-10-9-15(28-29(16)19)20-13(22)5-3-6-14(20)23/h3-10,12H,2,11H2,1H3,(H2,24,26,27,30).
What are the key properties of 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126708580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).