N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C20H22N4O2 — CID 91786961

IUPACN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@@H]3[C@@H](Cc4ccccc4)[C@H]4OCC[C@@H]34)c12
InChIInChI=1S/C20H22N4O2/c1-23-8-9-24-20(23)16(12-21-24)19(25)22-17-14-7-10-26-18(14)15(17)11-13-5-3-2-4-6-13/h2-6,8-9,12,14-15,17-18H,7,10-11H2,1H3,(H,22,25)/t14-,15+,17-,18-/m0/s1
InChIKeyWBMPPPARYOIXHD-MVJTYMMSSA-N
MW350.42 g/mol
LogP2.05
Rot. Bonds4

About N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 91786961) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID91786961
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@@H]3[C@@H](Cc4ccccc4)[C@H]4OCC[C@@H]34)c12
InChIInChI=1S/C20H22N4O2/c1-23-8-9-24-20(23)16(12-21-24)19(25)22-17-14-7-10-26-18(14)15(17)11-13-5-3-2-4-6-13/h2-6,8-9,12,14-15,17-18H,7,10-11H2,1H3,(H,22,25)/t14-,15+,17-,18-/m0/s1
InChIKeyWBMPPPARYOIXHD-MVJTYMMSSA-N
XLogP2.05
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 91786961) is N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)N[C@@H]3[C@@H](Cc4ccccc4)[C@H]4OCC[C@@H]34)c12.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is WBMPPPARYOIXHD-MVJTYMMSSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-8-9-24-20(23)16(12-21-24)19(25)22-17-14-7-10-26-18(14)15(17)11-13-5-3-2-4-6-13/h2-6,8-9,12,14-15,17-18H,7,10-11H2,1H3,(H,22,25)/t14-,15+,17-,18-/m0/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 91786961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).