2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine

C17H24N4 — CID 66209525

IUPAC2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCCC1C2CNCC2CN1Cc1cn2cc(C)ccc2n1
InChIInChI=1S/C17H24N4/c1-3-16-15-7-18-6-13(15)9-20(16)10-14-11-21-8-12(2)4-5-17(21)19-14/h4-5,8,11,13,15-16,18H,3,6-7,9-10H2,1-2H3
InChIKeyBKOQDXOKINVHEY-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.07
Rot. Bonds3

About 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine

2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 66209525) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID66209525
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCCC1C2CNCC2CN1Cc1cn2cc(C)ccc2n1
InChIInChI=1S/C17H24N4/c1-3-16-15-7-18-6-13(15)9-20(16)10-14-11-21-8-12(2)4-5-17(21)19-14/h4-5,8,11,13,15-16,18H,3,6-7,9-10H2,1-2H3
InChIKeyBKOQDXOKINVHEY-UHFFFAOYSA-N
XLogP2.07
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine 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 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine (CID 66209525) is 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine is CCC1C2CNCC2CN1Cc1cn2cc(C)ccc2n1.
What is the InChIKey of 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is BKOQDXOKINVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-16-15-7-18-6-13(15)9-20(16)10-14-11-21-8-12(2)4-5-17(21)19-14/h4-5,8,11,13,15-16,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine?
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 284.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 66209525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).