3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide

C19H19Cl2N5O2 — CID 144738541

IUPAC3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
SMILESCCc1cnc2ccc(N3CC[C@H](NC(=O)c4cc(Cl)cc(Cl)c4O)C3)nn12
InChIInChI=1S/C19H19Cl2N5O2/c1-2-13-9-22-16-3-4-17(24-26(13)16)25-6-5-12(10-25)23-19(28)14-7-11(20)8-15(21)18(14)27/h3-4,7-9,12,27H,2,5-6,10H2,1H3,(H,23,28)/t12-/m0/s1
InChIKeyZOBYXPHZZXCDFI-LBPRGKRZSA-N
MW420.30 g/mol
LogP3.31
Rot. Bonds4

About 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide

3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide (PubChem CID 144738541) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
PubChem CID144738541
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
SMILESCCc1cnc2ccc(N3CC[C@H](NC(=O)c4cc(Cl)cc(Cl)c4O)C3)nn12
InChIInChI=1S/C19H19Cl2N5O2/c1-2-13-9-22-16-3-4-17(24-26(13)16)25-6-5-12(10-25)23-19(28)14-7-11(20)8-15(21)18(14)27/h3-4,7-9,12,27H,2,5-6,10H2,1H3,(H,23,28)/t12-/m0/s1
InChIKeyZOBYXPHZZXCDFI-LBPRGKRZSA-N
XLogP3.31
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
CID 178146534
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
1-ethyl-5-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 144737893
3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738337
N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738717
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144738488
3,5-dichloro-N-[(3S,5R)-1-[3-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-6-yl]-5-(3-fluorophenyl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738325
N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine
CID 144737967

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide (CID 144738541) is 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide is CCc1cnc2ccc(N3CC[C@H](NC(=O)c4cc(Cl)cc(Cl)c4O)C3)nn12.
What is the InChIKey of 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
The InChIKey is ZOBYXPHZZXCDFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-2-13-9-22-16-3-4-17(24-26(13)16)25-6-5-12(10-25)23-19(28)14-7-11(20)8-15(21)18(14)27/h3-4,7-9,12,27H,2,5-6,10H2,1H3,(H,23,28)/t12-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide has a molecular weight of 420.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 144738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).