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

C22H22F3N7O — CID 139344621

IUPAC(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-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)C[C@@H](C)O1
InChIInChI=1S/C22H22F3N7O/c1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25/h4-8,10-11,13,19H,9,12H2,1-3H3/t13-,19-/m1/s1
InChIKeyRAHNLJNHGBDPGS-BFUOFWGJSA-N
MW457.46 g/mol
LogP3.82
Rot. Bonds3

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

(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 139344621) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID139344621
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-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)C[C@@H](C)O1
InChIInChI=1S/C22H22F3N7O/c1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25/h4-8,10-11,13,19H,9,12H2,1-3H3/t13-,19-/m1/s1
InChIKeyRAHNLJNHGBDPGS-BFUOFWGJSA-N
XLogP3.82
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 139344621) is (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-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)C[C@@H](C)O1.
What is the InChIKey of (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is RAHNLJNHGBDPGS-BFUOFWGJSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25/h4-8,10-11,13,19H,9,12H2,1-3H3/t13-,19-/m1/s1.
What are the key properties of (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 457.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 139344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).