[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

C22H24N4O2 — CID 120659124

IUPAC[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3C[C@H]4CNC[C@H]4C3)nc12
InChIInChI=1S/C22H24N4O2/c1-15-5-4-8-25-13-18(24-21(15)25)14-28-20-7-3-2-6-19(20)22(27)26-11-16-9-23-10-17(16)12-26/h2-8,13,16-17,23H,9-12,14H2,1H3/t16-,17+
InChIKeyOMAFKPHDTGBVNU-CALCHBBNSA-N
MW376.46 g/mol
LogP2.51
Rot. Bonds4

About [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (PubChem CID 120659124) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
PubChem CID120659124
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3C[C@H]4CNC[C@H]4C3)nc12
InChIInChI=1S/C22H24N4O2/c1-15-5-4-8-25-13-18(24-21(15)25)14-28-20-7-3-2-6-19(20)22(27)26-11-16-9-23-10-17(16)12-26/h2-8,13,16-17,23H,9-12,14H2,1H3/t16-,17+
InChIKeyOMAFKPHDTGBVNU-CALCHBBNSA-N
XLogP2.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

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[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119397448
N-[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-3-yl]methanesulfonamide
CID 55679342
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
N-ethyl-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134005773
[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36636036
N-[2-(methylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
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N-(2-amino-2-methylpropyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 119628901
N-[(4-fluorophenyl)methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24616146
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(3-methylpiperidin-4-yl)benzamide
CID 120555110
N-ethyl-N-(2-hydroxyethyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (CID 120659124) is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is Cc1cccn2cc(COc3ccccc3C(=O)N3C[C@H]4CNC[C@H]4C3)nc12.
What is the InChIKey of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The InChIKey is OMAFKPHDTGBVNU-CALCHBBNSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-5-4-8-25-13-18(24-21(15)25)14-28-20-7-3-2-6-19(20)22(27)26-11-16-9-23-10-17(16)12-26/h2-8,13,16-17,23H,9-12,14H2,1H3/t16-,17+.
What are the key properties of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 120659124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).