[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol

C12H15N3O2 — CID 67781518

IUPAC[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
SMILESCc1nccc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C12H15N3O2/c1-8-12-10(4-5-13-8)15(7-14-12)11-3-2-9(6-16)17-11/h4-5,7,9,11,16H,2-3,6H2,1H3/t9-,11+/m0/s1
InChIKeyNEGQLURTHYDTHF-GXSJLCMTSA-N
MW233.27 g/mol
LogP1.41
Rot. Bonds2

About [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol

[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol (PubChem CID 67781518) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
PubChem CID67781518
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
SMILESCc1nccc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C12H15N3O2/c1-8-12-10(4-5-13-8)15(7-14-12)11-3-2-9(6-16)17-11/h4-5,7,9,11,16H,2-3,6H2,1H3/t9-,11+/m0/s1
InChIKeyNEGQLURTHYDTHF-GXSJLCMTSA-N
XLogP1.41
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol (CID 67781518) is [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol is Cc1nccc2c1ncn2[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
The InChIKey is NEGQLURTHYDTHF-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-12-10(4-5-13-8)15(7-14-12)11-3-2-9(6-16)17-11/h4-5,7,9,11,16H,2-3,6H2,1H3/t9-,11+/m0/s1.
What are the key properties of [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 67781518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).