(2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine

C18H21N3O2 — CID 97160479

IUPAC(2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
SMILESCc1ccc([C@@H]2CN(Cc3cnc4c(C)cccn34)CCO2)o1
InChIInChI=1S/C18H21N3O2/c1-13-4-3-7-21-15(10-19-18(13)21)11-20-8-9-22-17(12-20)16-6-5-14(2)23-16/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyDKAPBAVXXVEEOU-KRWDZBQOSA-N
MW311.39 g/mol
LogP3.12
Rot. Bonds3

About (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine

(2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine (PubChem CID 97160479) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
PubChem CID97160479
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
SMILESCc1ccc([C@@H]2CN(Cc3cnc4c(C)cccn34)CCO2)o1
InChIInChI=1S/C18H21N3O2/c1-13-4-3-7-21-15(10-19-18(13)21)11-20-8-9-22-17(12-20)16-6-5-14(2)23-16/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyDKAPBAVXXVEEOU-KRWDZBQOSA-N
XLogP3.12
TPSA42.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine (CID 97160479) is (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine is Cc1ccc([C@@H]2CN(Cc3cnc4c(C)cccn34)CCO2)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine?
The InChIKey is DKAPBAVXXVEEOU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-3-7-21-15(10-19-18(13)21)11-20-8-9-22-17(12-20)16-6-5-14(2)23-16/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine?
(2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine has a molecular weight of 311.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)-4-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine is sourced from PubChem (CID 97160479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).