1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C27H29N7O — CID 71526354

IUPAC1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-c3cc(Nc4cccc(N5CCCC5C)n4)c4nccn4n3)cc2C1
InChIInChI=1S/C27H29N7O/c1-18-5-4-12-33(18)26-7-3-6-25(30-26)29-24-16-23(31-34-14-11-28-27(24)34)21-9-8-20-10-13-32(19(2)35)17-22(20)15-21/h3,6-9,11,14-16,18H,4-5,10,12-13,17H2,1-2H3,(H,29,30)
InChIKeyHSUUPICOYVZUDF-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.43
Rot. Bonds4

About 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 71526354) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID71526354
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-c3cc(Nc4cccc(N5CCCC5C)n4)c4nccn4n3)cc2C1
InChIInChI=1S/C27H29N7O/c1-18-5-4-12-33(18)26-7-3-6-25(30-26)29-24-16-23(31-34-14-11-28-27(24)34)21-9-8-20-10-13-32(19(2)35)17-22(20)15-21/h3,6-9,11,14-16,18H,4-5,10,12-13,17H2,1-2H3,(H,29,30)
InChIKeyHSUUPICOYVZUDF-UHFFFAOYSA-N
XLogP4.43
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone with MolForge

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Related Compounds

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CID 145946114
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CID 44206063
CID 44206063
CID 71525988
CID 71525988
CID 132209868
CID 132209868
CID 165368930
CID 165368930
CID 118032839
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CID 10068655
CID 10068655
CID 11238677
CID 11238677
CID 11478841
CID 11478841

Frequently Asked Questions

What is the IUPAC name of 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 71526354) is 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is CC(=O)N1CCc2ccc(-c3cc(Nc4cccc(N5CCCC5C)n4)c4nccn4n3)cc2C1.
What is the InChIKey of 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is HSUUPICOYVZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-18-5-4-12-33(18)26-7-3-6-25(30-26)29-24-16-23(31-34-14-11-28-27(24)34)21-9-8-20-10-13-32(19(2)35)17-22(20)15-21/h3,6-9,11,14-16,18H,4-5,10,12-13,17H2,1-2H3,(H,29,30).
What are the key properties of 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 467.58 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 71526354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).