[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol

C18H20F2N6O — CID 171431688

IUPAC[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol
SMILESOCc1cc2ncc(-c3cccc(N[C@@H]4CCCNC4)n3)n2nc1C(F)F
InChIInChI=1S/C18H20F2N6O/c19-18(20)17-11(10-27)7-16-22-9-14(26(16)25-17)13-4-1-5-15(24-13)23-12-3-2-6-21-8-12/h1,4-5,7,9,12,18,21,27H,2-3,6,8,10H2,(H,23,24)/t12-/m1/s1
InChIKeyQNUKUXLYMXMVMN-GFCCVEGCSA-N
MW374.40 g/mol
LogP2.39
Rot. Bonds5

About [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol

[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol (PubChem CID 171431688) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol
PubChem CID171431688
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol
SMILESOCc1cc2ncc(-c3cccc(N[C@@H]4CCCNC4)n3)n2nc1C(F)F
InChIInChI=1S/C18H20F2N6O/c19-18(20)17-11(10-27)7-16-22-9-14(26(16)25-17)13-4-1-5-15(24-13)23-12-3-2-6-21-8-12/h1,4-5,7,9,12,18,21,27H,2-3,6,8,10H2,(H,23,24)/t12-/m1/s1
InChIKeyQNUKUXLYMXMVMN-GFCCVEGCSA-N
XLogP2.39
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol 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

6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
CID 164537226
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine;difluoromethane
CID 164537196
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 164969843
6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 164560910
ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537015
N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537108
N-[(3R)-piperidin-3-yl]-6-(6-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)pyridin-2-amine
CID 164561154
N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537113
6-[7-[(Z)-2-amino-1-hydrazinylethenyl]imidazo[1,2-a]pyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine
CID 169129385
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]methanol
CID 165031080

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol?
The IUPAC name of [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol (CID 171431688) is [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol?
The canonical SMILES for [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol is OCc1cc2ncc(-c3cccc(N[C@@H]4CCCNC4)n3)n2nc1C(F)F.
What is the InChIKey of [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol?
The InChIKey is QNUKUXLYMXMVMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20F2N6O/c19-18(20)17-11(10-27)7-16-22-9-14(26(16)25-17)13-4-1-5-15(24-13)23-12-3-2-6-21-8-12/h1,4-5,7,9,12,18,21,27H,2-3,6,8,10H2,(H,23,24)/t12-/m1/s1.
What are the key properties of [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol?
[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol has a molecular weight of 374.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol is sourced from PubChem (CID 171431688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).