2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine

C13H18N4O — CID 97178280

IUPAC2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(OCC[C@@H]3CCCNC3)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-3-10(9-14-6-1)5-8-18-13-16-11-4-2-7-15-12(11)17-13/h2,4,7,10,14H,1,3,5-6,8-9H2,(H,15,16,17)/t10-/m0/s1
InChIKeyMQCRWJRAZCEFBJ-JTQLQIEISA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine

2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine (PubChem CID 97178280) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine
PubChem CID97178280
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(OCC[C@@H]3CCCNC3)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-3-10(9-14-6-1)5-8-18-13-16-11-4-2-7-15-12(11)17-13/h2,4,7,10,14H,1,3,5-6,8-9H2,(H,15,16,17)/t10-/m0/s1
InChIKeyMQCRWJRAZCEFBJ-JTQLQIEISA-N
XLogP1.73
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636962
2-(2-piperidin-4-ylethoxy)-1H-imidazo[4,5-b]pyridine
CID 71636618
2-piperidin-3-yloxy-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71637392
2-(2-piperidin-2-ylethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636567
2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636966
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
3-(2-piperidin-3-ylethoxy)pyridazine
CID 62483890
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
8-(2-piperidin-3-ylethoxymethyl)quinoline
CID 62356483

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine (CID 97178280) is 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine is c1cnc2nc(OCC[C@@H]3CCCNC3)[nH]c2c1.
What is the InChIKey of 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine?
The InChIKey is MQCRWJRAZCEFBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-10(9-14-6-1)5-8-18-13-16-11-4-2-7-15-12(11)17-13/h2,4,7,10,14H,1,3,5-6,8-9H2,(H,15,16,17)/t10-/m0/s1.
What are the key properties of 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine?
2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 97178280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).