(3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol

C17H16F3N5O2 — CID 139344460

IUPAC(3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol
SMILESO[C@@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)10-1-2-14-22-6-13(25(14)7-10)16-21-4-3-15(23-16)24-8-11(26)5-12(27)9-24/h1-4,6-7,11-12,26-27H,5,8-9H2/t11-,12+
InChIKeyRQSTVWANNNTPRJ-TXEJJXNPSA-N
MW379.34 g/mol
LogP1.74
Rot. Bonds2

About (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol

(3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol (PubChem CID 139344460) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol.

Molecular Properties

Compound Name(3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol
PubChem CID139344460
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name(3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol
SMILESO[C@@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)10-1-2-14-22-6-13(25(14)7-10)16-21-4-3-15(23-16)24-8-11(26)5-12(27)9-24/h1-4,6-7,11-12,26-27H,5,8-9H2/t11-,12+
InChIKeyRQSTVWANNNTPRJ-TXEJJXNPSA-N
XLogP1.74
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol?
The IUPAC name of (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol (CID 139344460) is (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol.
What is the SMILES notation for (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol?
The canonical SMILES for (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol is O[C@@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol?
The InChIKey is RQSTVWANNNTPRJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)10-1-2-14-22-6-13(25(14)7-10)16-21-4-3-15(23-16)24-8-11(26)5-12(27)9-24/h1-4,6-7,11-12,26-27H,5,8-9H2/t11-,12+.
What are the key properties of (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol?
(3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol has a molecular weight of 379.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol is sourced from PubChem (CID 139344460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).