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

C40H36F6N14O2 — CID 156692591

IUPAC2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)O1.C[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1
InChIInChI=1S/2C20H18F3N7O/c2*1-12-9-29(11-17(31-12)13-6-26-27-7-13)19-24-5-4-15(28-19)16-8-25-18-3-2-14(10-30(16)18)20(21,22)23/h2*2-8,10,12,17H,9,11H2,1H3,(H,26,27)/t12-,17-;/m0./s1
InChIKeyPBMMLEJDTCGLKP-XHXSRVRCSA-N
MW858.81 g/mol
LogP7.00
Rot. Bonds6

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

2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 156692591) has the molecular formula C40H36F6N14O2 and a molecular weight of 858.81 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID156692591
Molecular FormulaC40H36F6N14O2
Molecular Weight858.81 g/mol
Exact Mass858.30
IUPAC Name2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)O1.C[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1
InChIInChI=1S/2C20H18F3N7O/c2*1-12-9-29(11-17(31-12)13-6-26-27-7-13)19-24-5-4-15(28-19)16-8-25-18-3-2-14(10-30(16)18)20(21,22)23/h2*2-8,10,12,17H,9,11H2,1H3,(H,26,27)/t12-,17-;/m0./s1
InChIKeyPBMMLEJDTCGLKP-XHXSRVRCSA-N
XLogP7.00
TPSA168.46 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500858.81
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

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Related Compounds

6-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56658840
(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344288
4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 139344297
(2S,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344332
2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-yl]morpholine
CID 139344342
3-[4-[(2S,3R)-2-methyl-4-[(3-methyloxetan-3-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344349
4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 139344356
4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 139344376
(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344392
(2R,6R)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344397
3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344405
2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 156692591) is 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)O1.C[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is PBMMLEJDTCGLKP-XHXSRVRCSA-N. The full InChI is InChI=1S/2C20H18F3N7O/c2*1-12-9-29(11-17(31-12)13-6-26-27-7-13)19-24-5-4-15(28-19)16-8-25-18-3-2-14(10-30(16)18)20(21,22)23/h2*2-8,10,12,17H,9,11H2,1H3,(H,26,27)/t12-,17-;/m0./s1.
What are the key properties of 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 858.81 g/mol, XLogP of 7.00, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 156692591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).