(1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C18H25N5O2 — CID 56879037

IUPAC(1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(c1cn2c(n1)CNCC2)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C18H25N5O2/c24-17-3-1-2-15-13-6-12(9-23(15)17)8-22(10-13)18(25)14-11-21-5-4-19-7-16(21)20-14/h11-13,15,19H,1-10H2/t12-,13-,15+/m1/s1
InChIKeyWHXSULLUHZIZJA-NFAWXSAZSA-N
MW343.43 g/mol
LogP0.46
Rot. Bonds1

About (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 56879037) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID56879037
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(c1cn2c(n1)CNCC2)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C18H25N5O2/c24-17-3-1-2-15-13-6-12(9-23(15)17)8-22(10-13)18(25)14-11-21-5-4-19-7-16(21)20-14/h11-13,15,19H,1-10H2/t12-,13-,15+/m1/s1
InChIKeyWHXSULLUHZIZJA-NFAWXSAZSA-N
XLogP0.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 56879037) is (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(c1cn2c(n1)CNCC2)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is WHXSULLUHZIZJA-NFAWXSAZSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17-3-1-2-15-13-6-12(9-23(15)17)8-22(10-13)18(25)14-11-21-5-4-19-7-16(21)20-14/h11-13,15,19H,1-10H2/t12-,13-,15+/m1/s1.
What are the key properties of (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 343.43 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9R)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 56879037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).