(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol

C17H17F3N6O — CID 139344839

IUPAC(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESN[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)10-1-2-14-23-6-13(26(14)7-10)16-22-4-3-15(24-16)25-8-11(21)5-12(27)9-25/h1-4,6-7,11-12,27H,5,8-9,21H2/t11-,12-/m0/s1
InChIKeyBNOLJXVEDYRIJN-RYUDHWBXSA-N
MW378.36 g/mol
LogP1.71
Rot. Bonds2

About (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol

(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 139344839) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID139344839
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESN[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)10-1-2-14-23-6-13(26(14)7-10)16-22-4-3-15(24-16)25-8-11(21)5-12(27)9-25/h1-4,6-7,11-12,27H,5,8-9,21H2/t11-,12-/m0/s1
InChIKeyBNOLJXVEDYRIJN-RYUDHWBXSA-N
XLogP1.71
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol (CID 139344839) is (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol is N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is BNOLJXVEDYRIJN-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)10-1-2-14-23-6-13(26(14)7-10)16-22-4-3-15(24-16)25-8-11(21)5-12(27)9-25/h1-4,6-7,11-12,27H,5,8-9,21H2/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 378.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 139344839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).