1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone

C20H22N4O — CID 97170827

IUPAC1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2cccnc2n1[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22N4O/c1-15(25)19-22-18-10-5-11-21-20(18)24(19)17-9-6-12-23(14-17)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3/t17-/m1/s1
InChIKeyMPKLXWPFTYKQPP-QGZVFWFLSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds4

About 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone

1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone (PubChem CID 97170827) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
PubChem CID97170827
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2cccnc2n1[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22N4O/c1-15(25)19-22-18-10-5-11-21-20(18)24(19)17-9-6-12-23(14-17)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3/t17-/m1/s1
InChIKeyMPKLXWPFTYKQPP-QGZVFWFLSA-N
XLogP3.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone (CID 97170827) is 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone is CC(=O)c1nc2cccnc2n1[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone?
The InChIKey is MPKLXWPFTYKQPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(25)19-22-18-10-5-11-21-20(18)24(19)17-9-6-12-23(14-17)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone?
1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 97170827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).