5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

C20H21F3N8O — CID 153331321

IUPAC5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.Cc1ccn[nH]1
InChIInChI=1S/C16H15F3N6O.C4H6N2/c1-10-8-24(4-5-26-10)15-6-11(21-9-22-15)12-7-20-14-3-2-13(16(17,18)19)23-25(12)14;1-4-2-3-5-6-4/h2-3,6-7,9-10H,4-5,8H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyNZZJKVNPXAPRFS-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.15
Rot. Bonds2

About 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 153331321) has the molecular formula C20H21F3N8O and a molecular weight of 446.44 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID153331321
Molecular FormulaC20H21F3N8O
Molecular Weight446.44 g/mol
Exact Mass446.18
IUPAC Name5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.Cc1ccn[nH]1
InChIInChI=1S/C16H15F3N6O.C4H6N2/c1-10-8-24(4-5-26-10)15-6-11(21-9-22-15)12-7-20-14-3-2-13(16(17,18)19)23-25(12)14;1-4-2-3-5-6-4/h2-3,6-7,9-10H,4-5,8H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyNZZJKVNPXAPRFS-UHFFFAOYSA-N
XLogP3.15
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 9953906
CID 9953906
CID 49835055
CID 49835055
CID 62706651
CID 62706651
CID 86278568
CID 86278568
CID 90161075
CID 90161075
CID 118067807
CID 118067807
CID 11225074
CID 11225074
CID 11247946
CID 11247946
CID 11270869
CID 11270869
CID 11554196
CID 11554196
CID 11560313
CID 11560313
CID 11682414
CID 11682414

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (CID 153331321) is 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is CC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.Cc1ccn[nH]1.
What is the InChIKey of 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is NZZJKVNPXAPRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O.C4H6N2/c1-10-8-24(4-5-26-10)15-6-11(21-9-22-15)12-7-20-14-3-2-13(16(17,18)19)23-25(12)14;1-4-2-3-5-6-4/h2-3,6-7,9-10H,4-5,8H2,1H3;2-3H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 446.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole;2-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 153331321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).