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

C20H18F3N7O2 — CID 139344478

IUPAC(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(OC(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1
InChIInChI=1S/C20H18F3N7O2/c1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)32-20(21,22)23/h2-8,10,12,16H,9,11H2,1H3,(H,26,27)/t12-,16-/m1/s1
InChIKeyBGLKLAQNIXCRPH-MLGOLLRUSA-N
MW445.41 g/mol
LogP3.38
Rot. Bonds4

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

(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139344478) has the molecular formula C20H18F3N7O2 and a molecular weight of 445.41 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139344478
Molecular FormulaC20H18F3N7O2
Molecular Weight445.41 g/mol
Exact Mass445.15
IUPAC Name(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(OC(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1
InChIInChI=1S/C20H18F3N7O2/c1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)32-20(21,22)23/h2-8,10,12,16H,9,11H2,1H3,(H,26,27)/t12-,16-/m1/s1
InChIKeyBGLKLAQNIXCRPH-MLGOLLRUSA-N
XLogP3.38
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine (CID 139344478) is (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine is C[C@@H]1CN(c2ccnc(-c3cnc4ccc(OC(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.
What is the InChIKey of (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is BGLKLAQNIXCRPH-MLGOLLRUSA-N. The full InChI is InChI=1S/C20H18F3N7O2/c1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)32-20(21,22)23/h2-8,10,12,16H,9,11H2,1H3,(H,26,27)/t12-,16-/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 445.41 g/mol, XLogP of 3.38, 4 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-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139344478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).