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

C15H20N4O3 — CID 91775737

IUPACN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)c2cnn3ccn(C)c23)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H20N4O3/c1-18-4-5-19-15(18)10(7-16-19)14(20)17-12-9-3-6-22-13(9)11(12)8-21-2/h4-5,7,9,11-13H,3,6,8H2,1-2H3,(H,17,20)/t9-,11+,12+,13-/m0/s1
InChIKeyOJGSBNHFFSWYAE-SQNXGDPESA-N
MW304.35 g/mol
LogP0.45
Rot. Bonds4

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

N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 91775737) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID91775737
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)c2cnn3ccn(C)c23)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H20N4O3/c1-18-4-5-19-15(18)10(7-16-19)14(20)17-12-9-3-6-22-13(9)11(12)8-21-2/h4-5,7,9,11-13H,3,6,8H2,1-2H3,(H,17,20)/t9-,11+,12+,13-/m0/s1
InChIKeyOJGSBNHFFSWYAE-SQNXGDPESA-N
XLogP0.45
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5S,6R,7S)-7-(methoxymethyl)-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-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 91775737) is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is COC[C@@H]1[C@H](NC(=O)c2cnn3ccn(C)c23)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is OJGSBNHFFSWYAE-SQNXGDPESA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18-4-5-19-15(18)10(7-16-19)14(20)17-12-9-3-6-22-13(9)11(12)8-21-2/h4-5,7,9,11-13H,3,6,8H2,1-2H3,(H,17,20)/t9-,11+,12+,13-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 91775737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).