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

C17H15F3N6O2 — CID 139344785

IUPAC(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)10-1-2-13-23-7-11(26(13)8-10)16-22-4-3-14(24-16)25-5-6-28-12(9-25)15(21)27/h1-4,7-8,12H,5-6,9H2,(H2,21,27)/t12-/m0/s1
InChIKeyBBPFRYVBGJFXLT-LBPRGKRZSA-N
MW392.34 g/mol
LogP1.50
Rot. Bonds3

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

(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (PubChem CID 139344785) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
PubChem CID139344785
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)10-1-2-13-23-7-11(26(13)8-10)16-22-4-3-14(24-16)25-5-6-28-12(9-25)15(21)27/h1-4,7-8,12H,5-6,9H2,(H2,21,27)/t12-/m0/s1
InChIKeyBBPFRYVBGJFXLT-LBPRGKRZSA-N
XLogP1.50
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (CID 139344785) is (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The InChIKey is BBPFRYVBGJFXLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-17(19,20)10-1-2-13-23-7-11(26(13)8-10)16-22-4-3-14(24-16)25-5-6-28-12(9-25)15(21)27/h1-4,7-8,12H,5-6,9H2,(H2,21,27)/t12-/m0/s1.
What are the key properties of (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 139344785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).