[3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C24H31ClN4O2 — CID 25079265

IUPAC[3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C[C@H](C)O1
InChIInChI=1S/C24H31ClN4O2/c1-15-12-28(13-16(2)31-15)24(30)23-21(29-14-20(25)5-6-22(29)27-23)11-26-8-7-19-10-17-3-4-18(19)9-17/h3-6,14-19,26H,7-13H2,1-2H3/t15-,16+,17-,18+,19-/m1/s1
InChIKeyJBUNRZLMPXYWAU-MTHXSQLBSA-N
MW442.99 g/mol
LogP3.93
Rot. Bonds6

About [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 25079265) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID25079265
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name[3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C[C@H](C)O1
InChIInChI=1S/C24H31ClN4O2/c1-15-12-28(13-16(2)31-15)24(30)23-21(29-14-20(25)5-6-22(29)27-23)11-26-8-7-19-10-17-3-4-18(19)9-17/h3-6,14-19,26H,7-13H2,1-2H3/t15-,16+,17-,18+,19-/m1/s1
InChIKeyJBUNRZLMPXYWAU-MTHXSQLBSA-N
XLogP3.93
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 25079265) is [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C[C@H](C)O1.
What is the InChIKey of [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is JBUNRZLMPXYWAU-MTHXSQLBSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-15-12-28(13-16(2)31-15)24(30)23-21(29-14-20(25)5-6-22(29)27-23)11-26-8-7-19-10-17-3-4-18(19)9-17/h3-6,14-19,26H,7-13H2,1-2H3/t15-,16+,17-,18+,19-/m1/s1.
What are the key properties of [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 442.99 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]-6-chloroimidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 25079265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).