(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

C21H21F3N8O — CID 156678140

IUPAC(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1nn(C)cc1C1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1
InChIInChI=1S/C21H21F3N8O/c1-12-8-31(10-17(33-12)14-9-30(3)28-13(14)2)20-6-15(26-11-27-20)16-7-25-19-5-4-18(21(22,23)24)29-32(16)19/h4-7,9,11-12,17H,8,10H2,1-3H3/t12-,17?/m1/s1
InChIKeyQJLQBMHKSZOGRZ-MTATWXBHSA-N
MW458.45 g/mol
LogP3.21
Rot. Bonds3

About (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 156678140) has the molecular formula C21H21F3N8O and a molecular weight of 458.45 g/mol. Its IUPAC name is (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID156678140
Molecular FormulaC21H21F3N8O
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Name(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1nn(C)cc1C1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1
InChIInChI=1S/C21H21F3N8O/c1-12-8-31(10-17(33-12)14-9-30(3)28-13(14)2)20-6-15(26-11-27-20)16-7-25-19-5-4-18(21(22,23)24)29-32(16)19/h4-7,9,11-12,17H,8,10H2,1-3H3/t12-,17?/m1/s1
InChIKeyQJLQBMHKSZOGRZ-MTATWXBHSA-N
XLogP3.21
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
Bay-41-8543
CID 9953906
Vabametkib
CID 73504719
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 102004312
1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 127050189
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
1-(2-ethoxyethyl)-3-methyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11718514
3-methyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887522
3-ethyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887568
1-(2-ethoxyethyl)-3-methyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888542
3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 52938509
4-[3-(Imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine
CID 53262468

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (CID 156678140) is (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is Cc1nn(C)cc1C1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.
What is the InChIKey of (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is QJLQBMHKSZOGRZ-MTATWXBHSA-N. The full InChI is InChI=1S/C21H21F3N8O/c1-12-8-31(10-17(33-12)14-9-30(3)28-13(14)2)20-6-15(26-11-27-20)16-7-25-19-5-4-18(21(22,23)24)29-32(16)19/h4-7,9,11-12,17H,8,10H2,1-3H3/t12-,17?/m1/s1.
What are the key properties of (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 458.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156678140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).