[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid

C17H23F2N5O3 — CID 170340155

IUPAC[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
SMILESCN(C)c1cc2nc([C@@H](NC(=O)O)C3CCC(F)(F)CC3)cn2nc1CO
InChIInChI=1S/C17H23F2N5O3/c1-23(2)13-7-14-20-11(8-24(14)22-12(13)9-25)15(21-16(26)27)10-3-5-17(18,19)6-4-10/h7-8,10,15,21,25H,3-6,9H2,1-2H3,(H,26,27)/t15-/m0/s1
InChIKeyLGAUWUVVONUSML-HNNXBMFYSA-N
MW383.40 g/mol
LogP2.42
Rot. Bonds5

About [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid

[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid (PubChem CID 170340155) has the molecular formula C17H23F2N5O3 and a molecular weight of 383.40 g/mol. Its IUPAC name is [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
PubChem CID170340155
Molecular FormulaC17H23F2N5O3
Molecular Weight383.40 g/mol
Exact Mass383.18
IUPAC Name[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
SMILESCN(C)c1cc2nc([C@@H](NC(=O)O)C3CCC(F)(F)CC3)cn2nc1CO
InChIInChI=1S/C17H23F2N5O3/c1-23(2)13-7-14-20-11(8-24(14)22-12(13)9-25)15(21-16(26)27)10-3-5-17(18,19)6-4-10/h7-8,10,15,21,25H,3-6,9H2,1-2H3,(H,26,27)/t15-/m0/s1
InChIKeyLGAUWUVVONUSML-HNNXBMFYSA-N
XLogP2.42
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid 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

[(S)-(4,4-difluorocyclohexyl)-[7-[methyl(oxan-4-yl)amino]-6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
CID 170340124
tert-butyl-[[1-[2-[(carboxyamino)-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxyethyl]amino]-oxidosulfanium
CID 174048007
[(S)-(4,4-difluorocyclohexyl)-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
CID 170339530
N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 170598447
(5R)-3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]-7-(dimethylamino)imidazo[1,2-b]pyridazin-6-yl]methyl]-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 170339734
[2-[(S)-(4,4-difluorocyclohexyl)-[(2-ethylpyrazole-3-carbonyl)amino]methyl]-6-[(5,5-difluoro-2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-7-yl]carbamic acid
CID 170339845
N-[(4,4-difluorocyclohexyl)-[7-(1-hydroxyethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170598855
ethyl 1-[6-chloro-2-[(S)-(4,4-difluorocyclohexyl)-(phenylmethoxycarbonylamino)methyl]imidazo[1,2-b]pyridazin-7-yl]-4,4-difluorocyclohexane-1-carboxylate
CID 170550928
N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170598534
N-[(S)-(4,4-difluorocyclohexyl)-[7-[methyl(oxan-4-yl)amino]-6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170339826
N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 167245202
N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 163526034

Frequently Asked Questions

What is the IUPAC name of [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid?
The IUPAC name of [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid (CID 170340155) is [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid.
What is the SMILES notation for [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid?
The canonical SMILES for [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid is CN(C)c1cc2nc([C@@H](NC(=O)O)C3CCC(F)(F)CC3)cn2nc1CO.
What is the InChIKey of [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid?
The InChIKey is LGAUWUVVONUSML-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23F2N5O3/c1-23(2)13-7-14-20-11(8-24(14)22-12(13)9-25)15(21-16(26)27)10-3-5-17(18,19)6-4-10/h7-8,10,15,21,25H,3-6,9H2,1-2H3,(H,26,27)/t15-/m0/s1.
What are the key properties of [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid?
[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid has a molecular weight of 383.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 170340155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).