(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone

C19H25N7O — CID 118760650

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C19H25N7O/c1-4-25-16(13-15(21-25)14(2)3)19(27)24-11-9-23(10-12-24)18-6-5-17-20-7-8-26(17)22-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyLLGJSEBDLLADCW-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.03
Rot. Bonds4

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone (PubChem CID 118760650) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
PubChem CID118760650
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C19H25N7O/c1-4-25-16(13-15(21-25)14(2)3)19(27)24-11-9-23(10-12-24)18-6-5-17-20-7-8-26(17)22-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyLLGJSEBDLLADCW-UHFFFAOYSA-N
XLogP2.03
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone 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 (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone (CID 118760650) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The InChIKey is LLGJSEBDLLADCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-25-16(13-15(21-25)14(2)3)19(27)24-11-9-23(10-12-24)18-6-5-17-20-7-8-26(17)22-18/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone has a molecular weight of 367.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118760650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).