2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide

C19H17N5O4S — CID 172615344

IUPAC2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
SMILESNC(=O)c1c(C2CC2)nc2c(C(=O)NC3CS(=O)(=O)c4ccccc43)ccnn12
InChIInChI=1S/C19H17N5O4S/c20-17(25)16-15(10-5-6-10)23-18-12(7-8-21-24(16)18)19(26)22-13-9-29(27,28)14-4-2-1-3-11(13)14/h1-4,7-8,10,13H,5-6,9H2,(H2,20,25)(H,22,26)
InChIKeyKHJYIBOUXOKZKC-UHFFFAOYSA-N
MW411.44 g/mol
LogP0.96
Rot. Bonds4

About 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide

2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide (PubChem CID 172615344) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide.

Molecular Properties

Compound Name2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
PubChem CID172615344
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
SMILESNC(=O)c1c(C2CC2)nc2c(C(=O)NC3CS(=O)(=O)c4ccccc43)ccnn12
InChIInChI=1S/C19H17N5O4S/c20-17(25)16-15(10-5-6-10)23-18-12(7-8-21-24(16)18)19(26)22-13-9-29(27,28)14-4-2-1-3-11(13)14/h1-4,7-8,10,13H,5-6,9H2,(H2,20,25)(H,22,26)
InChIKeyKHJYIBOUXOKZKC-UHFFFAOYSA-N
XLogP0.96
TPSA136.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US10774086, Example 5
CID 134551847
N-[2-oxo-2-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]anilino]ethyl]cyclopropanecarboxamide
CID 44390172
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-propan-2-ylsulfonyl-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383508
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383829
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfonyl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383842
2-amino-5-[7-cyclobutylsulfonyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155384020
N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670284
4-[6-(3-Cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 118720971
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-cyclopropylsulfonyl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168277245
US10100058, Example 180
CID 134539900
6-cyclopropyl-N-(4-methylsulfonylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9509286
1-methyl-6-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 118740470

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
The IUPAC name of 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide (CID 172615344) is 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide.
What is the SMILES notation for 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
The canonical SMILES for 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide is NC(=O)c1c(C2CC2)nc2c(C(=O)NC3CS(=O)(=O)c4ccccc43)ccnn12.
What is the InChIKey of 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
The InChIKey is KHJYIBOUXOKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c20-17(25)16-15(10-5-6-10)23-18-12(7-8-21-24(16)18)19(26)22-13-9-29(27,28)14-4-2-1-3-11(13)14/h1-4,7-8,10,13H,5-6,9H2,(H2,20,25)(H,22,26).
What are the key properties of 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide has a molecular weight of 411.44 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide is sourced from PubChem (CID 172615344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).