2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide

C20H21N7O2S — CID 163219352

IUPAC2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
SMILESCc1nnc2cc(NC(=O)Cn3nc(C(C)C)c4nc(C5CC5)sc4c3=O)ccn12
InChIInChI=1S/C20H21N7O2S/c1-10(2)16-17-18(30-19(22-17)12-4-5-12)20(29)27(25-16)9-15(28)21-13-6-7-26-11(3)23-24-14(26)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H,21,28)
InChIKeyJUJVVYYKXVLRCU-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide

2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide (PubChem CID 163219352) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
PubChem CID163219352
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
SMILESCc1nnc2cc(NC(=O)Cn3nc(C(C)C)c4nc(C5CC5)sc4c3=O)ccn12
InChIInChI=1S/C20H21N7O2S/c1-10(2)16-17-18(30-19(22-17)12-4-5-12)20(29)27(25-16)9-15(28)21-13-6-7-26-11(3)23-24-14(26)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H,21,28)
InChIKeyJUJVVYYKXVLRCU-UHFFFAOYSA-N
XLogP2.84
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide?
The IUPAC name of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide (CID 163219352) is 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide is Cc1nnc2cc(NC(=O)Cn3nc(C(C)C)c4nc(C5CC5)sc4c3=O)ccn12.
What is the InChIKey of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide?
The InChIKey is JUJVVYYKXVLRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-10(2)16-17-18(30-19(22-17)12-4-5-12)20(29)27(25-16)9-15(28)21-13-6-7-26-11(3)23-24-14(26)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H,21,28).
What are the key properties of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide?
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide has a molecular weight of 423.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide is sourced from PubChem (CID 163219352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).