3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide

C17H15Cl2N5O2 — CID 144738035

IUPAC3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCN(c2ccc3nccn3n2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H15Cl2N5O2/c18-10-7-12(16(25)13(19)8-10)17(26)21-11-3-5-23(9-11)15-2-1-14-20-4-6-24(14)22-15/h1-2,4,6-8,11,25H,3,5,9H2,(H,21,26)/t11-/m0/s1
InChIKeyDNJFBWIITUTAIH-NSHDSACASA-N
MW392.25 g/mol
LogP2.75
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide

3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide (PubChem CID 144738035) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
PubChem CID144738035
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCN(c2ccc3nccn3n2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H15Cl2N5O2/c18-10-7-12(16(25)13(19)8-10)17(26)21-11-3-5-23(9-11)15-2-1-14-20-4-6-24(14)22-15/h1-2,4,6-8,11,25H,3,5,9H2,(H,21,26)/t11-/m0/s1
InChIKeyDNJFBWIITUTAIH-NSHDSACASA-N
XLogP2.75
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
3,5-dichloro-2-hydroxy-N-[(3S)-1-[3-[(E)-prop-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738243
fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738246
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
2,4-dimethyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357834
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
CID 178146534
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738137
1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
CID 126857228
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide (CID 144738035) is 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCN(c2ccc3nccn3n2)C1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
The InChIKey is DNJFBWIITUTAIH-NSHDSACASA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c18-10-7-12(16(25)13(19)8-10)17(26)21-11-3-5-23(9-11)15-2-1-14-20-4-6-24(14)22-15/h1-2,4,6-8,11,25H,3,5,9H2,(H,21,26)/t11-/m0/s1.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide has a molecular weight of 392.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 144738035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).