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

C20H19F3N8O — CID 139343254

IUPAC(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1[nH]ncc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1
InChIInChI=1S/C20H19F3N8O/c1-11-8-30(9-16(32-11)13-6-27-28-12(13)2)19-5-14(25-10-26-19)15-7-24-18-4-3-17(20(21,22)23)29-31(15)18/h3-7,10-11,16H,8-9H2,1-2H3,(H,27,28)/t11-,16-/m1/s1
InChIKeyUWLVPGDFNAWJCJ-BDJLRTHQSA-N
MW444.42 g/mol
LogP3.20
Rot. Bonds3

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

(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139343254) has the molecular formula C20H19F3N8O and a molecular weight of 444.42 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139343254
Molecular FormulaC20H19F3N8O
Molecular Weight444.42 g/mol
Exact Mass444.16
IUPAC Name(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1[nH]ncc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1
InChIInChI=1S/C20H19F3N8O/c1-11-8-30(9-16(32-11)13-6-27-28-12(13)2)19-5-14(25-10-26-19)15-7-24-18-4-3-17(20(21,22)23)29-31(15)18/h3-7,10-11,16H,8-9H2,1-2H3,(H,27,28)/t11-,16-/m1/s1
InChIKeyUWLVPGDFNAWJCJ-BDJLRTHQSA-N
XLogP3.20
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (CID 139343254) is (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is Cc1[nH]ncc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.
What is the InChIKey of (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is UWLVPGDFNAWJCJ-BDJLRTHQSA-N. The full InChI is InChI=1S/C20H19F3N8O/c1-11-8-30(9-16(32-11)13-6-27-28-12(13)2)19-5-14(25-10-26-19)15-7-24-18-4-3-17(20(21,22)23)29-31(15)18/h3-7,10-11,16H,8-9H2,1-2H3,(H,27,28)/t11-,16-/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 444.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139343254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).