(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol

C20H20F6N6O2 — CID 177159627

IUPAC(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc2ncc(-c3nc(N[C@@H]4CNCC[C@H]4F)c(F)cc3F)n2nc1[C@](C)(O)C(F)(F)F
InChIInChI=1S/C20H20F6N6O2/c1-19(33,20(24,25)26)17-14(34-2)6-15-28-8-13(32(15)31-17)16-10(22)5-11(23)18(30-16)29-12-7-27-4-3-9(12)21/h5-6,8-9,12,27,33H,3-4,7H2,1-2H3,(H,29,30)/t9-,12-,19+/m1/s1
InChIKeySKIPWHDERWTBIL-VVSLUIPWSA-N
MW490.41 g/mol
LogP2.96
Rot. Bonds5

About (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 177159627) has the molecular formula C20H20F6N6O2 and a molecular weight of 490.41 g/mol. Its IUPAC name is (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID177159627
Molecular FormulaC20H20F6N6O2
Molecular Weight490.41 g/mol
Exact Mass490.16
IUPAC Name(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc2ncc(-c3nc(N[C@@H]4CNCC[C@H]4F)c(F)cc3F)n2nc1[C@](C)(O)C(F)(F)F
InChIInChI=1S/C20H20F6N6O2/c1-19(33,20(24,25)26)17-14(34-2)6-15-28-8-13(32(15)31-17)16-10(22)5-11(23)18(30-16)29-12-7-27-4-3-9(12)21/h5-6,8-9,12,27,33H,3-4,7H2,1-2H3,(H,29,30)/t9-,12-,19+/m1/s1
InChIKeySKIPWHDERWTBIL-VVSLUIPWSA-N
XLogP2.96
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 170631006
5-fluoro-2-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 177159618
6-[6-(1-bicyclo[1.1.1]pentanyl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
CID 170631281
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933
5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 177159573
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(3R,4R)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630965
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630869
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630960
2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 167137149
1,1,1-trifluoro-2-[7-methoxy-3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-b]pyridazin-6-yl]propan-2-ol
CID 170591578
3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine
CID 170769638
2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
CID 171505554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol (CID 177159627) is (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol is COc1cc2ncc(-c3nc(N[C@@H]4CNCC[C@H]4F)c(F)cc3F)n2nc1[C@](C)(O)C(F)(F)F.
What is the InChIKey of (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SKIPWHDERWTBIL-VVSLUIPWSA-N. The full InChI is InChI=1S/C20H20F6N6O2/c1-19(33,20(24,25)26)17-14(34-2)6-15-28-8-13(32(15)31-17)16-10(22)5-11(23)18(30-16)29-12-7-27-4-3-9(12)21/h5-6,8-9,12,27,33H,3-4,7H2,1-2H3,(H,29,30)/t9-,12-,19+/m1/s1.
What are the key properties of (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 490.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 177159627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).