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

C22H23N3O2 — CID 133267150

IUPACN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4[C@H]3Cc3ccccc3)nc2c1
InChIInChI=1S/C22H23N3O2/c1-14-7-9-25-13-18(23-19(25)11-14)22(26)24-20-16-8-10-27-21(16)17(20)12-15-5-3-2-4-6-15/h2-7,9,11,13,16-17,20-21H,8,10,12H2,1H3,(H,24,26)/t16-,17+,20-,21-/m1/s1
InChIKeySMUYMZOWIRPSBH-HRQSHJORSA-N
MW361.45 g/mol
LogP3.02
Rot. Bonds4

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

N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 133267150) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID133267150
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4[C@H]3Cc3ccccc3)nc2c1
InChIInChI=1S/C22H23N3O2/c1-14-7-9-25-13-18(23-19(25)11-14)22(26)24-20-16-8-10-27-21(16)17(20)12-15-5-3-2-4-6-15/h2-7,9,11,13,16-17,20-21H,8,10,12H2,1H3,(H,24,26)/t16-,17+,20-,21-/m1/s1
InChIKeySMUYMZOWIRPSBH-HRQSHJORSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 133267150) is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4[C@H]3Cc3ccccc3)nc2c1.
What is the InChIKey of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SMUYMZOWIRPSBH-HRQSHJORSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-7-9-25-13-18(23-19(25)11-14)22(26)24-20-16-8-10-27-21(16)17(20)12-15-5-3-2-4-6-15/h2-7,9,11,13,16-17,20-21H,8,10,12H2,1H3,(H,24,26)/t16-,17+,20-,21-/m1/s1.
What are the key properties of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 133267150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).