1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one

C17H21N5O2 — CID 136566951

IUPAC1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1CC1CCN(C(=O)c2ccc3cccnn23)CC1
InChIInChI=1S/C17H21N5O2/c23-16(15-4-3-14-2-1-7-19-22(14)15)20-9-5-13(6-10-20)12-21-11-8-18-17(21)24/h1-4,7,13H,5-6,8-12H2,(H,18,24)
InChIKeyDAXIIUSHYZBGPK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.21
Rot. Bonds3

About 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one

1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one (PubChem CID 136566951) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
PubChem CID136566951
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1CC1CCN(C(=O)c2ccc3cccnn23)CC1
InChIInChI=1S/C17H21N5O2/c23-16(15-4-3-14-2-1-7-19-22(14)15)20-9-5-13(6-10-20)12-21-11-8-18-17(21)24/h1-4,7,13H,5-6,8-12H2,(H,18,24)
InChIKeyDAXIIUSHYZBGPK-UHFFFAOYSA-N
XLogP1.21
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 145975193
US10239876, Example 91
CID 124185544
N-[[3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 145966863
2-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 145974160
Methyl 4-[[6-[[(2-propan-2-ylpyrazolo[1,5-a]pyridine-7-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]piperidine-1-carboxylate
CID 145978067
4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 46911300
N-{4-[1-(pyridin-2-ylcarbonyl)piperidin-4-yl]butyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510298
N-[4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510702
N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510703
N-[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510704
N-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510782

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one (CID 136566951) is 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one is O=C1NCCN1CC1CCN(C(=O)c2ccc3cccnn23)CC1.
What is the InChIKey of 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
The InChIKey is DAXIIUSHYZBGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(15-4-3-14-2-1-7-19-22(14)15)20-9-5-13(6-10-20)12-21-11-8-18-17(21)24/h1-4,7,13H,5-6,8-12H2,(H,18,24).
What are the key properties of 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 136566951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).