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

C19H19F3N6O3 — CID 139344769

IUPAC2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CO)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)11-1-2-15-24-6-14(28(15)7-11)18-23-4-3-16(26-18)27-8-12(5-13(30)9-27)25-17(31)10-29/h1-4,6-7,12-13,29-30H,5,8-10H2,(H,25,31)/t12-,13-/m0/s1
InChIKeyNGLJYRAULYKLSS-STQMWFEESA-N
MW436.39 g/mol
LogP0.86
Rot. Bonds4

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

2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide (PubChem CID 139344769) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
PubChem CID139344769
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Name2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CO)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)11-1-2-15-24-6-14(28(15)7-11)18-23-4-3-16(26-18)27-8-12(5-13(30)9-27)25-17(31)10-29/h1-4,6-7,12-13,29-30H,5,8-10H2,(H,25,31)/t12-,13-/m0/s1
InChIKeyNGLJYRAULYKLSS-STQMWFEESA-N
XLogP0.86
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide (CID 139344769) is 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide is O=C(CO)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is NGLJYRAULYKLSS-STQMWFEESA-N. The full InChI is InChI=1S/C19H19F3N6O3/c20-19(21,22)11-1-2-15-24-6-14(28(15)7-11)18-23-4-3-16(26-18)27-8-12(5-13(30)9-27)25-17(31)10-29/h1-4,6-7,12-13,29-30H,5,8-10H2,(H,25,31)/t12-,13-/m0/s1.
What are the key properties of 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 436.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 139344769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).