5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine

C13H20N4 — CID 118333076

IUPAC5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC1=CC(C)=NC2N=C([C@@H]3CCCCN3)NC12
InChIInChI=1S/C13H20N4/c1-8-7-9(2)15-13-11(8)16-12(17-13)10-5-3-4-6-14-10/h7,10-11,13-14H,3-6H2,1-2H3,(H,16,17)/t10-,11?,13?/m0/s1
InChIKeyBGPUNYVLUAONGY-ZBOXLXRLSA-N
MW232.33 g/mol
LogP1.25
Rot. Bonds1

About 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine

5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine (PubChem CID 118333076) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
PubChem CID118333076
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC1=CC(C)=NC2N=C([C@@H]3CCCCN3)NC12
InChIInChI=1S/C13H20N4/c1-8-7-9(2)15-13-11(8)16-12(17-13)10-5-3-4-6-14-10/h7,10-11,13-14H,3-6H2,1-2H3,(H,16,17)/t10-,11?,13?/m0/s1
InChIKeyBGPUNYVLUAONGY-ZBOXLXRLSA-N
XLogP1.25
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 123158436
5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
CID 176527673
N-[(5-methylcyclohexa-1,4-dien-1-yl)methyl]-3,5-dihydropurin-6-imine
CID 135737396
N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine
CID 144720927

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine (CID 118333076) is 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine is CC1=CC(C)=NC2N=C([C@@H]3CCCCN3)NC12.
What is the InChIKey of 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is BGPUNYVLUAONGY-ZBOXLXRLSA-N. The full InChI is InChI=1S/C13H20N4/c1-8-7-9(2)15-13-11(8)16-12(17-13)10-5-3-4-6-14-10/h7,10-11,13-14H,3-6H2,1-2H3,(H,16,17)/t10-,11?,13?/m0/s1.
What are the key properties of 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 232.33 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 118333076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).