(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one

C18H26N6O — CID 154761804

IUPAC(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one
SMILESCC(N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C)c1cc2n(n1)CCC2
InChIInChI=1S/C18H26N6O/c1-12(15-11-13-5-4-9-24(13)21-15)20-14-6-7-16(25)23(3)17(14)18-19-8-10-22(18)2/h8,10-12,14,17,20H,4-7,9H2,1-3H3/t12?,14-,17-/m1/s1
InChIKeyNITZPPPALYERCS-MRXJRLSOSA-N
MW342.45 g/mol
LogP1.58
Rot. Bonds4

About (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one

(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one (PubChem CID 154761804) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one
PubChem CID154761804
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one
SMILESCC(N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C)c1cc2n(n1)CCC2
InChIInChI=1S/C18H26N6O/c1-12(15-11-13-5-4-9-24(13)21-15)20-14-6-7-16(25)23(3)17(14)18-19-8-10-22(18)2/h8,10-12,14,17,20H,4-7,9H2,1-3H3/t12?,14-,17-/m1/s1
InChIKeyNITZPPPALYERCS-MRXJRLSOSA-N
XLogP1.58
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one (CID 154761804) is (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one is CC(N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C)c1cc2n(n1)CCC2.
What is the InChIKey of (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
The InChIKey is NITZPPPALYERCS-MRXJRLSOSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(15-11-13-5-4-9-24(13)21-15)20-14-6-7-16(25)23(3)17(14)18-19-8-10-22(18)2/h8,10-12,14,17,20H,4-7,9H2,1-3H3/t12?,14-,17-/m1/s1.
What are the key properties of (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one has a molecular weight of 342.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one is sourced from PubChem (CID 154761804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).