[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol

C14H18F2N4O — CID 170403901

IUPAC[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol
SMILESN[C@H](c1cn2nc(CO)ccc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O/c15-14(16)5-3-9(4-6-14)13(17)11-7-20-12(18-11)2-1-10(8-21)19-20/h1-2,7,9,13,21H,3-6,8,17H2/t13-/m0/s1
InChIKeyHNNPUKGBKKLUQJ-ZDUSSCGKSA-N
MW296.32 g/mol
LogP2.05
Rot. Bonds3

About [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol

[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol (PubChem CID 170403901) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol.

Molecular Properties

Compound Name[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol
PubChem CID170403901
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol
SMILESN[C@H](c1cn2nc(CO)ccc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O/c15-14(16)5-3-9(4-6-14)13(17)11-7-20-12(18-11)2-1-10(8-21)19-20/h1-2,7,9,13,21H,3-6,8,17H2/t13-/m0/s1
InChIKeyHNNPUKGBKKLUQJ-ZDUSSCGKSA-N
XLogP2.05
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]pyrrolidin-2-one
CID 170339512
(3R,5S)-3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 170339846
3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5-(1,1-difluoroethyl)pyrrolidin-2-one
CID 170340615
methyl (3S)-3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-2-oxopiperidine-3-carboxylate
CID 170340307
(5R)-3-[[2-[amino(spiro[2.5]octan-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5-(trifluoromethyl)piperidin-2-one
CID 170339692
methyl (3R)-3-[[2-[(S)-amino(cycloheptyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5,5-difluoro-2-oxopiperidine-3-carboxylate
CID 170402412
methyl (3S)-3-[[2-[amino-(3,3-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5,5-difluoro-2-oxopiperidine-3-carboxylate
CID 170598581
[(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
[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]-6-[(5,5-difluoro-2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-7-yl]carbamic acid
CID 170340434
N-[(1S)-1-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]-4,4,4-trifluorobutanamide
CID 166499899
methyl 3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]methyl]-5,5-difluoro-2-oxopiperidine-3-carboxylate
CID 170598599
N-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide
CID 167245247

Frequently Asked Questions

What is the IUPAC name of [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol?
The IUPAC name of [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol (CID 170403901) is [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol.
What is the SMILES notation for [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol?
The canonical SMILES for [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol is N[C@H](c1cn2nc(CO)ccc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol?
The InChIKey is HNNPUKGBKKLUQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F2N4O/c15-14(16)5-3-9(4-6-14)13(17)11-7-20-12(18-11)2-1-10(8-21)19-20/h1-2,7,9,13,21H,3-6,8,17H2/t13-/m0/s1.
What are the key properties of [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol?
[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol has a molecular weight of 296.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methanol is sourced from PubChem (CID 170403901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).