4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid

C23H26N4O6 — CID 156887143

IUPAC4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)cnn2cc(C)cc12.COC(C)c1c(C(=O)O)cnn2cccc12
InChIInChI=1S/C12H14N2O3.C11H12N2O3/c1-7-4-10-11(8(2)17-3)9(12(15)16)5-13-14(10)6-7;1-7(16-2)10-8(11(14)15)6-12-13-5-3-4-9(10)13/h4-6,8H,1-3H3,(H,15,16);3-7H,1-2H3,(H,14,15)
InChIKeyUTNKYJYGZDCGHJ-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.79
Rot. Bonds6

About 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid

4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 156887143) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID156887143
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)cnn2cc(C)cc12.COC(C)c1c(C(=O)O)cnn2cccc12
InChIInChI=1S/C12H14N2O3.C11H12N2O3/c1-7-4-10-11(8(2)17-3)9(12(15)16)5-13-14(10)6-7;1-7(16-2)10-8(11(14)15)6-12-13-5-3-4-9(10)13/h4-6,8H,1-3H3,(H,15,16);3-7H,1-2H3,(H,14,15)
InChIKeyUTNKYJYGZDCGHJ-UHFFFAOYSA-N
XLogP3.79
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
CID 156887174
4-tert-butyl-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid
CID 175591443
2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
CID 156887102
2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid
CID 175449316
N-(1,1-dimethoxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118082
ethyl 4-[(1S)-1-hydroxyethyl]pyrrolo[1,2-b]pyridazine-3-carboxylate
CID 156887109
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
2-methyl-1-(5-methylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
CID 112713205
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
pyrrolo[2,1-a]phthalazine-7-carboxylic acid
CID 135290107
4-(1-methoxyethyl)quinoline-3-carboxylic acid
CID 135324304
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid (CID 156887143) is 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid is COC(C)c1c(C(=O)O)cnn2cc(C)cc12.COC(C)c1c(C(=O)O)cnn2cccc12.
What is the InChIKey of 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is UTNKYJYGZDCGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C11H12N2O3/c1-7-4-10-11(8(2)17-3)9(12(15)16)5-13-14(10)6-7;1-7(16-2)10-8(11(14)15)6-12-13-5-3-4-9(10)13/h4-6,8H,1-3H3,(H,15,16);3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 454.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 156887143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).