bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride

C22H28Cl2N6O2 — CID 67031626

IUPACbis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride
SMILESCl.Cl.O=C1Nc2ncccc2C12CCNCC2.O=C1Nc2ncccc2C12CCNCC2
InChIInChI=1S/2C11H13N3O.2ClH/c2*15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10;;/h2*1-2,5,12H,3-4,6-7H2,(H,13,14,15);2*1H
InChIKeyCTHCVNZYTZSDSE-UHFFFAOYSA-N
MW479.41 g/mol
LogP2.15
Rot. Bonds

About bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride

bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride (PubChem CID 67031626) has the molecular formula C22H28Cl2N6O2 and a molecular weight of 479.41 g/mol. Its IUPAC name is bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride.

Molecular Properties

Compound Namebis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride
PubChem CID67031626
Molecular FormulaC22H28Cl2N6O2
Molecular Weight479.41 g/mol
Exact Mass478.17
IUPAC Namebis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride
SMILESCl.Cl.O=C1Nc2ncccc2C12CCNCC2.O=C1Nc2ncccc2C12CCNCC2
InChIInChI=1S/2C11H13N3O.2ClH/c2*15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10;;/h2*1-2,5,12H,3-4,6-7H2,(H,13,14,15);2*1H
InChIKeyCTHCVNZYTZSDSE-UHFFFAOYSA-N
XLogP2.15
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride 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 bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride?
The IUPAC name of bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride (CID 67031626) is bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride.
What is the SMILES notation for bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride?
The canonical SMILES for bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride is Cl.Cl.O=C1Nc2ncccc2C12CCNCC2.O=C1Nc2ncccc2C12CCNCC2.
What is the InChIKey of bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride?
The InChIKey is CTHCVNZYTZSDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13N3O.2ClH/c2*15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10;;/h2*1-2,5,12H,3-4,6-7H2,(H,13,14,15);2*1H.
What are the key properties of bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride?
bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride has a molecular weight of 479.41 g/mol, XLogP of 2.15, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one);dihydrochloride is sourced from PubChem (CID 67031626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).