[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C18H28N4O2 — CID 155504162

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2cnn3ccn(C)c23)C[C@H](C(C)C)O1
InChIInChI=1S/C18H28N4O2/c1-5-6-7-14-11-21(12-16(24-14)13(2)3)18(23)15-10-19-22-9-8-20(4)17(15)22/h8-10,13-14,16H,5-7,11-12H2,1-4H3/t14-,16-/m1/s1
InChIKeyXYDOEMWKUWXVBZ-GDBMZVCRSA-N
MW332.45 g/mol
LogP2.73
Rot. Bonds5

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 155504162) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID155504162
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2cnn3ccn(C)c23)C[C@H](C(C)C)O1
InChIInChI=1S/C18H28N4O2/c1-5-6-7-14-11-21(12-16(24-14)13(2)3)18(23)15-10-19-22-9-8-20(4)17(15)22/h8-10,13-14,16H,5-7,11-12H2,1-4H3/t14-,16-/m1/s1
InChIKeyXYDOEMWKUWXVBZ-GDBMZVCRSA-N
XLogP2.73
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 155504162) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is CCCC[C@@H]1CN(C(=O)c2cnn3ccn(C)c23)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is XYDOEMWKUWXVBZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-6-7-14-11-21(12-16(24-14)13(2)3)18(23)15-10-19-22-9-8-20(4)17(15)22/h8-10,13-14,16H,5-7,11-12H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 155504162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).