5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C19H16ClN5O2 — CID 171368840

IUPAC5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@@H]3C[C@H]3c3ccc(Cl)cc3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H16ClN5O2/c20-11-3-1-10(2-4-11)12-7-13(12)14-8-16(24-25-6-5-21-17(14)25)15-9-22-19(27)23-18(15)26/h1-6,8,12-13,15H,7,9H2,(H2,22,23,26,27)/t12-,13+,15?/m0/s1
InChIKeyHKPLAYQWNZYDOA-IKCIUXDWSA-N
MW381.82 g/mol
LogP2.58
Rot. Bonds3

About 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368840) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368840
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@@H]3C[C@H]3c3ccc(Cl)cc3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H16ClN5O2/c20-11-3-1-10(2-4-11)12-7-13(12)14-8-16(24-25-6-5-21-17(14)25)15-9-22-19(27)23-18(15)26/h1-6,8,12-13,15H,7,9H2,(H2,22,23,26,27)/t12-,13+,15?/m0/s1
InChIKeyHKPLAYQWNZYDOA-IKCIUXDWSA-N
XLogP2.58
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione 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-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368840) is 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc([C@@H]3C[C@H]3c3ccc(Cl)cc3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is HKPLAYQWNZYDOA-IKCIUXDWSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c20-11-3-1-10(2-4-11)12-7-13(12)14-8-16(24-25-6-5-21-17(14)25)15-9-22-19(27)23-18(15)26/h1-6,8,12-13,15H,7,9H2,(H2,22,23,26,27)/t12-,13+,15?/m0/s1.
What are the key properties of 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 381.82 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).