[6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone

C26H32N8O3 — CID 168793530

IUPAC[6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILES[C-]#[N+]c1cnc2c(Nc3ccc(C(=O)N4CCCC4)c(OC(C)C)n3)cc(NC3CCCC[C@H]3O)nn12
InChIInChI=1S/C26H32N8O3/c1-16(2)37-25-17(26(36)33-12-6-7-13-33)10-11-21(31-25)30-19-14-22(29-18-8-4-5-9-20(18)35)32-34-23(27-3)15-28-24(19)34/h10-11,14-16,18,20,35H,4-9,12-13H2,1-2H3,(H,29,32)(H,30,31)/t18?,20-/m1/s1
InChIKeyQNEMJOAFYSKLSA-ROPPNANJSA-N
MW504.60 g/mol
LogP4.16
Rot. Bonds7

About [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 168793530) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID168793530
Molecular FormulaC26H32N8O3
Molecular Weight504.60 g/mol
Exact Mass504.26
IUPAC Name[6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILES[C-]#[N+]c1cnc2c(Nc3ccc(C(=O)N4CCCC4)c(OC(C)C)n3)cc(NC3CCCC[C@H]3O)nn12
InChIInChI=1S/C26H32N8O3/c1-16(2)37-25-17(26(36)33-12-6-7-13-33)10-11-21(31-25)30-19-14-22(29-18-8-4-5-9-20(18)35)32-34-23(27-3)15-28-24(19)34/h10-11,14-16,18,20,35H,4-9,12-13H2,1-2H3,(H,29,32)(H,30,31)/t18?,20-/m1/s1
InChIKeyQNEMJOAFYSKLSA-ROPPNANJSA-N
XLogP4.16
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone 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

[2-(dimethylamino)-6-[[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 168793543
8-[[6-(2,2-difluoroethoxy)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]amino]-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 162390674
(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 155688373
tert-butyl 6-[(6-chloro-3-isocyanoimidazo[1,2-b]pyridazin-8-yl)amino]-2-(dimethylamino)pyridine-3-carboxylate
CID 168793528
N-[5-[[3-isocyano-8-[(5-methoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide
CID 59313878
azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109162030
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56744422
[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 59764375
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide
CID 155688371
2-[(5,6-dimethylpyrazin-2-yl)amino]cyclohexan-1-ol
CID 114475697

Frequently Asked Questions

What is the IUPAC name of [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 168793530) is [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone is [C-]#[N+]c1cnc2c(Nc3ccc(C(=O)N4CCCC4)c(OC(C)C)n3)cc(NC3CCCC[C@H]3O)nn12.
What is the InChIKey of [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QNEMJOAFYSKLSA-ROPPNANJSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-16(2)37-25-17(26(36)33-12-6-7-13-33)10-11-21(31-25)30-19-14-22(29-18-8-4-5-9-20(18)35)32-34-23(27-3)15-28-24(19)34/h10-11,14-16,18,20,35H,4-9,12-13H2,1-2H3,(H,29,32)(H,30,31)/t18?,20-/m1/s1.
What are the key properties of [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 504.60 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-[[(2R)-2-hydroxycyclohexyl]amino]-3-isocyanoimidazo[1,2-b]pyridazin-8-yl]amino]-2-propan-2-yloxy-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 168793530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).