5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one

C18H17N5OS — CID 169423118

IUPAC5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one
SMILESCCC1=C(CC)C(c2nc(-c3c[nH]c4ncccc34)cs2)C(=O)N=N1
InChIInChI=1S/C18H17N5OS/c1-3-10-13(4-2)22-23-17(24)15(10)18-21-14(9-25-18)12-8-20-16-11(12)6-5-7-19-16/h5-9,15H,3-4H2,1-2H3,(H,19,20)
InChIKeyBVYQARUVEPXHOU-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.84
Rot. Bonds4

About 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one

5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one (PubChem CID 169423118) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one.

Molecular Properties

Compound Name5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one
PubChem CID169423118
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one
SMILESCCC1=C(CC)C(c2nc(-c3c[nH]c4ncccc34)cs2)C(=O)N=N1
InChIInChI=1S/C18H17N5OS/c1-3-10-13(4-2)22-23-17(24)15(10)18-21-14(9-25-18)12-8-20-16-11(12)6-5-7-19-16/h5-9,15H,3-4H2,1-2H3,(H,19,20)
InChIKeyBVYQARUVEPXHOU-UHFFFAOYSA-N
XLogP4.84
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one?
The IUPAC name of 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one (CID 169423118) is 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one.
What is the SMILES notation for 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one?
The canonical SMILES for 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one is CCC1=C(CC)C(c2nc(-c3c[nH]c4ncccc34)cs2)C(=O)N=N1.
What is the InChIKey of 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one?
The InChIKey is BVYQARUVEPXHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-3-10-13(4-2)22-23-17(24)15(10)18-21-14(9-25-18)12-8-20-16-11(12)6-5-7-19-16/h5-9,15H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one?
5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one has a molecular weight of 351.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-4H-pyridazin-3-one is sourced from PubChem (CID 169423118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).