[3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C23H29N5O2 — CID 42097100

IUPAC[3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(CN(C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)nc1
InChIInChI=1S/C23H29N5O2/c1-4-18-7-8-19(24-14-18)15-26(3)16-20-21(23(29)27-10-12-30-13-11-27)25-22-17(2)6-5-9-28(20)22/h5-9,14H,4,10-13,15-16H2,1-3H3
InChIKeyOCDBTRWRJRHDQY-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.70
Rot. Bonds6

About [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 42097100) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID42097100
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(CN(C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)nc1
InChIInChI=1S/C23H29N5O2/c1-4-18-7-8-19(24-14-18)15-26(3)16-20-21(23(29)27-10-12-30-13-11-27)25-22-17(2)6-5-9-28(20)22/h5-9,14H,4,10-13,15-16H2,1-3H3
InChIKeyOCDBTRWRJRHDQY-UHFFFAOYSA-N
XLogP2.70
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 42097100) is [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is CCc1ccc(CN(C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)nc1.
What is the InChIKey of [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is OCDBTRWRJRHDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-18-7-8-19(24-14-18)15-26(3)16-20-21(23(29)27-10-12-30-13-11-27)25-22-17(2)6-5-9-28(20)22/h5-9,14H,4,10-13,15-16H2,1-3H3.
What are the key properties of [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 407.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42097100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).