1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one

C14H18N4O2 — CID 126716045

IUPAC1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one
SMILESO=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cccnc21
InChIInChI=1S/C14H18N4O2/c19-10(7-12-13(20)4-2-5-15-12)8-18-9-17-11-3-1-6-16-14(11)18/h1,3,6,9,12-13,15,20H,2,4-5,7-8H2/t12-,13+/m1/s1
InChIKeyPQSCSZCAQJJNLB-OLZOCXBDSA-N
MW274.32 g/mol
LogP0.50
Rot. Bonds4

About 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one

1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one (PubChem CID 126716045) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one
PubChem CID126716045
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one
SMILESO=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cccnc21
InChIInChI=1S/C14H18N4O2/c19-10(7-12-13(20)4-2-5-15-12)8-18-9-17-11-3-1-6-16-14(11)18/h1,3,6,9,12-13,15,20H,2,4-5,7-8H2/t12-,13+/m1/s1
InChIKeyPQSCSZCAQJJNLB-OLZOCXBDSA-N
XLogP0.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one?
The IUPAC name of 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one (CID 126716045) is 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one is O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cccnc21.
What is the InChIKey of 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one?
The InChIKey is PQSCSZCAQJJNLB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-10(7-12-13(20)4-2-5-15-12)8-18-9-17-11-3-1-6-16-14(11)18/h1,3,6,9,12-13,15,20H,2,4-5,7-8H2/t12-,13+/m1/s1.
What are the key properties of 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one?
1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one has a molecular weight of 274.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one is sourced from PubChem (CID 126716045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).