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

C18H24N4O2 — CID 154793507

IUPAC[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-14-10-20(11-15-12-22-5-3-2-4-17(22)19-15)13-16(14)18(23)21-6-8-24-9-7-21/h2-5,12,14,16H,6-11,13H2,1H3/t14-,16-/m1/s1
InChIKeyFTFPAZSBHKECPE-GDBMZVCRSA-N
MW328.42 g/mol
LogP1.26
Rot. Bonds3

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

[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 154793507) 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-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID154793507
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-14-10-20(11-15-12-22-5-3-2-4-17(22)19-15)13-16(14)18(23)21-6-8-24-9-7-21/h2-5,12,14,16H,6-11,13H2,1H3/t14-,16-/m1/s1
InChIKeyFTFPAZSBHKECPE-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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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 128982979
[(3S,4S)-4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 139014319
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94538557
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 92766789
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 71872087
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
(4-hydroxypyrrolidin-2-yl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837405
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 154793507) is [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone is C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FTFPAZSBHKECPE-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-10-20(11-15-12-22-5-3-2-4-17(22)19-15)13-16(14)18(23)21-6-8-24-9-7-21/h2-5,12,14,16H,6-11,13H2,1H3/t14-,16-/m1/s1.
What are the key properties of [(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-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-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154793507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).