(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

C21H31N5O2 — CID 92766789

IUPAC(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@H](C)N2CCN(Cc3cn4ccccc4n3)CC2)C[C@@H](C)O1
InChIInChI=1S/C21H31N5O2/c1-16-12-26(13-17(2)28-16)21(27)18(3)24-10-8-23(9-11-24)14-19-15-25-7-5-4-6-20(25)22-19/h4-7,15-18H,8-14H2,1-3H3/t16-,17-,18+/m1/s1
InChIKeyFVLIVKVRJKYDFV-KURKYZTESA-N
MW385.51 g/mol
LogP1.48
Rot. Bonds4

About (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 92766789) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID92766789
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@H](C)N2CCN(Cc3cn4ccccc4n3)CC2)C[C@@H](C)O1
InChIInChI=1S/C21H31N5O2/c1-16-12-26(13-17(2)28-16)21(27)18(3)24-10-8-23(9-11-24)14-19-15-25-7-5-4-6-20(25)22-19/h4-7,15-18H,8-14H2,1-3H3/t16-,17-,18+/m1/s1
InChIKeyFVLIVKVRJKYDFV-KURKYZTESA-N
XLogP1.48
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 78808507
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86915606
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 134011315
[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 154793507
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (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) is (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one is C[C@@H]1CN(C(=O)[C@H](C)N2CCN(Cc3cn4ccccc4n3)CC2)C[C@@H](C)O1.
What is the InChIKey of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is FVLIVKVRJKYDFV-KURKYZTESA-N. The full InChI is InChI=1S/C21H31N5O2/c1-16-12-26(13-17(2)28-16)21(27)18(3)24-10-8-23(9-11-24)14-19-15-25-7-5-4-6-20(25)22-19/h4-7,15-18H,8-14H2,1-3H3/t16-,17-,18+/m1/s1.
What are the key properties of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 385.51 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 92766789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).