2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

C22H19N5O2S — CID 122162419

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1c(NC(=O)Cn2nc(C3CC3)ccc2=O)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C22H19N5O2S/c1-13-15(21-25-18-6-3-11-23-22(18)30-21)4-2-5-16(13)24-19(28)12-27-20(29)10-9-17(26-27)14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,24,28)
InChIKeyIRYHHXGHZFAWIG-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.74
Rot. Bonds5

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 122162419) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID122162419
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1c(NC(=O)Cn2nc(C3CC3)ccc2=O)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C22H19N5O2S/c1-13-15(21-25-18-6-3-11-23-22(18)30-21)4-2-5-16(13)24-19(28)12-27-20(29)10-9-17(26-27)14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,24,28)
InChIKeyIRYHHXGHZFAWIG-UHFFFAOYSA-N
XLogP3.74
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16815202
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121024897
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024665
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide
CID 43955372
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024913
(E)-3-(2-chlorophenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024942
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 122162419) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is Cc1c(NC(=O)Cn2nc(C3CC3)ccc2=O)cccc1-c1nc2cccnc2s1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is IRYHHXGHZFAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-13-15(21-25-18-6-3-11-23-22(18)30-21)4-2-5-16(13)24-19(28)12-27-20(29)10-9-17(26-27)14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,24,28).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 122162419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).