1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol

C17H18N4O — CID 170511377

IUPAC1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccc(-c3cnc4cccnn34)cc2)C1
InChIInChI=1S/C17H18N4O/c22-15-7-9-20(12-15)11-13-3-5-14(6-4-13)16-10-18-17-2-1-8-19-21(16)17/h1-6,8,10,15,22H,7,9,11-12H2
InChIKeyGNDIEEIREPLMEK-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.96
Rot. Bonds3

About 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol

1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 170511377) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol
PubChem CID170511377
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccc(-c3cnc4cccnn34)cc2)C1
InChIInChI=1S/C17H18N4O/c22-15-7-9-20(12-15)11-13-3-5-14(6-4-13)16-10-18-17-2-1-8-19-21(16)17/h1-6,8,10,15,22H,7,9,11-12H2
InChIKeyGNDIEEIREPLMEK-UHFFFAOYSA-N
XLogP1.96
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
CID 175402022
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 176715171
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methanone
CID 122560459
2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966306
3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146316110
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 156560216
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol (CID 170511377) is 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2ccc(-c3cnc4cccnn34)cc2)C1.
What is the InChIKey of 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is GNDIEEIREPLMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-15-7-9-20(12-15)11-13-3-5-14(6-4-13)16-10-18-17-2-1-8-19-21(16)17/h1-6,8,10,15,22H,7,9,11-12H2.
What are the key properties of 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol?
1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 294.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 170511377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).