(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C21H20F3N7O — CID 139365211

IUPAC(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C21H20F3N7O/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24/h3-6,9-11,18H,7-8,12H2,1-2H3/t18-/m0/s1
InChIKeyBZXVJBCXUNJPHC-SFHVURJKSA-N
MW443.43 g/mol
LogP3.43
Rot. Bonds3

About (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 139365211) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID139365211
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C21H20F3N7O/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24/h3-6,9-11,18H,7-8,12H2,1-2H3/t18-/m0/s1
InChIKeyBZXVJBCXUNJPHC-SFHVURJKSA-N
XLogP3.43
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 139365211) is (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is BZXVJBCXUNJPHC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24/h3-6,9-11,18H,7-8,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 443.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 139365211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).