[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

C20H26N6O2 — CID 155494473

About [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 155494473) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
• PubChem CID: 155494473
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
• SMILES: Cc1cccn2cc(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)nc12
• InChI: InChI=1S/C20H26N6O2/c1-14-6-5-7-25-12-16(22-19(14)25)20(27)26-8-9-28-17(13-23(2)3)18(26)15-10-21-24(4)11-15/h5-7,10-12,17-18H,8-9,13H2,1-4H3/t17-,18-/m0/s1
• InChIKey: OYVOTPOONJDFOV-ROUUACIJSA-N
• XLogP: 1.52
• TPSA: 67.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

The IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 155494473) is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

What is the SMILES notation for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

The canonical SMILES for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccn2cc(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)nc12.

What is the InChIKey of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

The InChIKey is OYVOTPOONJDFOV-ROUUACIJSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-6-5-7-25-12-16(22-19(14)25)20(27)26-8-9-28-17(13-23(2)3)18(26)15-10-21-24(4)11-15/h5-7,10-12,17-18H,8-9,13H2,1-4H3/t17-,18-/m0/s1.

What are the key properties of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 155494473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).