[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone

C18H24N4O2 — CID 128982979

IUPAC[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CN(Cc2cnc3ccccn23)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-14-11-20(12-15-10-19-17-4-2-3-5-22(15)17)13-16(14)18(23)21-6-8-24-9-7-21/h2-5,10,14,16H,6-9,11-13H2,1H3/t14-,16-/m1/s1
InChIKeyWBMXZSFFROUSHJ-GDBMZVCRSA-N
MW328.42 g/mol
LogP1.26
Rot. Bonds3

About [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone

[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 128982979) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID128982979
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CN(Cc2cnc3ccccn23)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-14-11-20(12-15-10-19-17-4-2-3-5-22(15)17)13-16(14)18(23)21-6-8-24-9-7-21/h2-5,10,14,16H,6-9,11-13H2,1H3/t14-,16-/m1/s1
InChIKeyWBMXZSFFROUSHJ-GDBMZVCRSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 128982979) is [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone is C[C@@H]1CN(Cc2cnc3ccccn23)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WBMXZSFFROUSHJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-11-20(12-15-10-19-17-4-2-3-5-22(15)17)13-16(14)18(23)21-6-8-24-9-7-21/h2-5,10,14,16H,6-9,11-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 128982979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).