[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone

C28H27N3O3 — CID 24682976

IUPAC[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3CCC(C(=O)c4ccccc4)CC3)nc12
InChIInChI=1S/C28H27N3O3/c1-20-8-7-15-31-18-23(29-27(20)31)19-34-25-12-6-5-11-24(25)28(33)30-16-13-22(14-17-30)26(32)21-9-3-2-4-10-21/h2-12,15,18,22H,13-14,16-17,19H2,1H3
InChIKeyASJGOJPQXIHHTM-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.96
Rot. Bonds6

About [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone

[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone (PubChem CID 24682976) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
PubChem CID24682976
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3CCC(C(=O)c4ccccc4)CC3)nc12
InChIInChI=1S/C28H27N3O3/c1-20-8-7-15-31-18-23(29-27(20)31)19-34-25-12-6-5-11-24(25)28(33)30-16-13-22(14-17-30)26(32)21-9-3-2-4-10-21/h2-12,15,18,22H,13-14,16-17,19H2,1H3
InChIKeyASJGOJPQXIHHTM-UHFFFAOYSA-N
XLogP4.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone (CID 24682976) is [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone is Cc1cccn2cc(COc3ccccc3C(=O)N3CCC(C(=O)c4ccccc4)CC3)nc12.
What is the InChIKey of [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is ASJGOJPQXIHHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-20-8-7-15-31-18-23(29-27(20)31)19-34-25-12-6-5-11-24(25)28(33)30-16-13-22(14-17-30)26(32)21-9-3-2-4-10-21/h2-12,15,18,22H,13-14,16-17,19H2,1H3.
What are the key properties of [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 453.54 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 24682976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).