1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea

C21H34N8O — CID 123355542

IUPAC1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1
InChIInChI=1S/C21H34N8O/c1-28(2)12-3-10-23-21(30)26-17-8-6-16(7-9-17)25-19-14-18(24-15-4-5-15)20-22-11-13-29(20)27-19/h11,13-17,24H,3-10,12H2,1-2H3,(H,25,27)(H2,23,26,30)
InChIKeyICZXABXUTNYRHK-UHFFFAOYSA-N
MW414.56 g/mol
LogP2.28
Rot. Bonds9

About 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea

1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea (PubChem CID 123355542) has the molecular formula C21H34N8O and a molecular weight of 414.56 g/mol. Its IUPAC name is 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea.

Molecular Properties

Compound Name1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea
PubChem CID123355542
Molecular FormulaC21H34N8O
Molecular Weight414.56 g/mol
Exact Mass414.29
IUPAC Name1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1
InChIInChI=1S/C21H34N8O/c1-28(2)12-3-10-23-21(30)26-17-8-6-16(7-9-17)25-19-14-18(24-15-4-5-15)20-22-11-13-29(20)27-19/h11,13-17,24H,3-10,12H2,1-2H3,(H,25,27)(H2,23,26,30)
InChIKeyICZXABXUTNYRHK-UHFFFAOYSA-N
XLogP2.28
TPSA98.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea with MolForge

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Related Compounds

N4-[3-[2-(isopentylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 53357829
6-(Cyclohexylamino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943149
N-cyclohexyl-4-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carboxamide
CID 25854680
1-Cyclohexyl-3-{2-methylpyrazolo[1,5-a]pyrimidin-6-yl}urea
CID 76148194
4-imidazo[1,2-b]pyridazin-6-yl-N-[(3S)-3-imidazol-1-ylbutyl]piperazine-1-carboxamide
CID 125523707
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide
CID 127976846
[6-(Cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid
CID 66691540
6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
CID 66695746
tert-butyl N-[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-N-(3,3,3-trifluoropropyl)carbamate
CID 118650833
US11427590, Entry 15-PROV
CID 135217262
N-(3,3-difluorocyclohexyl)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carboxamide
CID 127978035
N-(3-fluorocyclopentyl)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carboxamide
CID 128416270

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea?
The IUPAC name of 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea (CID 123355542) is 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea.
What is the SMILES notation for 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea?
The canonical SMILES for 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea is CN(C)CCCNC(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1.
What is the InChIKey of 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea?
The InChIKey is ICZXABXUTNYRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N8O/c1-28(2)12-3-10-23-21(30)26-17-8-6-16(7-9-17)25-19-14-18(24-15-4-5-15)20-22-11-13-29(20)27-19/h11,13-17,24H,3-10,12H2,1-2H3,(H,25,27)(H2,23,26,30).
What are the key properties of 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea?
1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea has a molecular weight of 414.56 g/mol, XLogP of 2.28, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea is sourced from PubChem (CID 123355542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).