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

C18H17F3N6O2 — CID 139344544

IUPAC(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C(N)=O)O1
InChIInChI=1S/C18H17F3N6O2/c1-10-7-26(9-13(29-10)16(22)28)15-4-5-23-17(25-15)12-6-24-14-3-2-11(8-27(12)14)18(19,20)21/h2-6,8,10,13H,7,9H2,1H3,(H2,22,28)/t10-,13-/m0/s1
InChIKeyGYEBUGHJKZMXRN-GWCFXTLKSA-N
MW406.37 g/mol
LogP1.89
Rot. Bonds3

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

(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (PubChem CID 139344544) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
PubChem CID139344544
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C(N)=O)O1
InChIInChI=1S/C18H17F3N6O2/c1-10-7-26(9-13(29-10)16(22)28)15-4-5-23-17(25-15)12-6-24-14-3-2-11(8-27(12)14)18(19,20)21/h2-6,8,10,13H,7,9H2,1H3,(H2,22,28)/t10-,13-/m0/s1
InChIKeyGYEBUGHJKZMXRN-GWCFXTLKSA-N
XLogP1.89
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (CID 139344544) is (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C(N)=O)O1.
What is the InChIKey of (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The InChIKey is GYEBUGHJKZMXRN-GWCFXTLKSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-10-7-26(9-13(29-10)16(22)28)15-4-5-23-17(25-15)12-6-24-14-3-2-11(8-27(12)14)18(19,20)21/h2-6,8,10,13H,7,9H2,1H3,(H2,22,28)/t10-,13-/m0/s1.
What are the key properties of (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 139344544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).